data_2dhx_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 2dhx _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 ' 9' ' ' VAL . . . . . 0.473 HG13 ' CB ' ' A' ' 60' ' ' ALA . 28.6 t . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.56 144.2 51.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.6 t -127.67 125.67 65.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.411 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 6.3 tm-20 -74.31 121.26 21.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.473 ' CG2' HD13 ' A' ' 78' ' ' LEU . 81.9 t -101.95 133.54 45.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.21 146.91 51.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.78 69.42 1.39 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.474 ' CD1' ' CD1' ' A' ' 25' ' ' LEU . 1.2 tp -133.36 121.74 16.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 147.69 34.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -26.74 10.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.777 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.38 -20.12 11.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.242 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.8 t -100.4 123.14 47.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 155.35 42.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.502 1.79 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.584 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -58.36 -36.3 73.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -42.97 -54.13 4.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 110.308 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.553 HD11 ' CD2' ' A' ' 72' ' ' HIS . 0.3 OUTLIER -65.69 -47.49 75.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.559 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -42.12 -46.65 4.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.7 p -77.09 -49.47 15.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.389 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.515 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -45.25 -45.2 11.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -62.4 -62.61 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.561 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 23.3 m-85 -54.32 -40.81 68.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -65.22 -29.31 70.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.68 120.53 16.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.12 -14.86 58.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -82.97 -42.53 17.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.47 -40.63 57.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.03 -74.86 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.042 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.09 39.54 0.48 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.44 ' CA ' ' OD1' ' A' ' 59' ' ' ASP . . . -106.77 -120.71 4.65 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.28 -145.24 4.48 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 143.13 28.79 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.8 t -102.51 130.65 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.45 -58.51 6.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.4 t -153.67 178.6 9.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.584 ' CD1' ' HB3' ' A' ' 22' ' ' ASP . 7.7 t-105 -150.55 136.6 18.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 107.987 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -125.49 97.69 5.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.566 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 38.9 ttp85 -75.71 128.22 34.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.9 mt -116.66 -169.28 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.59 -92.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.5 m -101.66 62.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 142.27 -129.94 4.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.57 157.86 7.31 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 20.2 t -86.97 127.62 40.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.479 HD11 ' CE3' ' A' ' 43' ' ' TRP . 1.6 tt -109.91 150.58 28.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 84.9 m -119.75 130.13 54.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.381 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.582 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 10.7 m-85 -103.91 121.29 42.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.6 ttt85 -38.6 -56.85 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.34 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -98.22 150.68 36.98 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.078 . . . . 0.0 110.283 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HB3' ' CG2' ' A' ' 9' ' ' VAL . 18.4 Cg_endo -75.05 -51.0 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.786 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.19 81.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.44 ' OD1' ' CA ' ' A' ' 37' ' ' GLY . 1.0 OUTLIER -53.79 -44.82 70.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.582 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . . . -57.14 -37.87 72.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -75.65 -35.56 60.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -25.4 36.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.476 HG23 ' CE2' ' A' ' 54' ' ' PHE . 18.2 t -87.76 -51.05 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 65' ' ' ALA . 11.3 mt -52.44 -37.78 57.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.32 -40.15 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.596 ' O ' ' CE1' ' A' ' 69' ' ' HIS . 2.3 tt0 -83.64 120.33 25.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.18 4.15 21.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -124.7 139.13 54.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 66' ' ' GLN . 20.5 m-70 -148.26 124.78 11.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.62 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.55 134.61 52.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.472 ' CD2' HD12 ' A' ' 25' ' ' LEU . 1.7 tp -152.94 109.21 3.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.553 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER 57.06 68.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.592 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 72' ' ' HIS . . . 37.85 87.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 172.55 149.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 0.793 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -101.15 106.46 17.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.5 ' N ' ' CD2' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -93.58 125.78 38.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.3 m -97.61 100.16 11.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.567 HD22 ' CD2' ' A' ' 69' ' ' HIS . 0.4 OUTLIER -86.64 145.3 26.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -152.86 163.23 24.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 115.17 4.21 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.411 ' HB2' ' N ' ' A' ' 12' ' ' GLU . . . -67.42 153.84 94.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 111.036 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.475 HG22 ' CB ' ' A' ' 57' ' ' PRO . 2.3 t . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.22 150.63 49.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.5 t -141.31 118.24 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -73.6 113.37 10.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.471 ' CG2' HD11 ' A' ' 78' ' ' LEU . 81.8 t -95.47 133.5 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.3 OUTLIER -133.78 147.02 51.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.95 67.4 1.74 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.468 HD11 ' CD1' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -134.1 127.64 19.18 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 150.3 37.82 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.439 1.757 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -43.31 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.53 -39.13 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.8 t -77.21 124.41 87.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.499 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.1 Cg_endo -75.03 -177.99 3.86 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 23' ' ' GLU . 4.2 p-10 -80.48 -42.93 21.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 22' ' ' ASP . 1.3 pm0 -37.46 -50.06 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.499 ' CD1' ' HD2' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -67.09 -52.77 37.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.571 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -39.68 -37.68 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.0 p -87.06 -49.12 7.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.363 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -45.93 -30.41 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -83.08 -64.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.571 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 12.2 m-85 -51.81 -38.03 54.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -66.62 -46.32 76.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.34 138.09 56.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -88.02 -35.4 17.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.26 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.3 mtm-85 -70.61 -42.9 70.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -63.5 -43.41 97.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 t -124.44 -78.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.77 50.91 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.34 -149.17 7.11 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.24 -154.05 7.54 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 131.82 14.72 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 37.8 t -83.57 126.74 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.46 -56.0 17.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.85 179.61 8.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.976 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.498 ' CZ2' HD22 ' A' ' 25' ' ' LEU . 10.1 t-105 -147.19 128.89 15.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 108.044 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -120.46 100.59 7.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ttp85 -83.69 113.47 20.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 30.2 mt -88.02 -97.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.36 -90.77 1.61 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 63.0 m -91.08 44.59 1.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 151.71 -111.87 0.51 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.55 170.88 12.79 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.5 t -97.22 129.58 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.458 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.8 tt -109.68 153.37 24.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 55.9 m -117.42 123.18 45.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.498 ' CG ' ' HB3' ' A' ' 60' ' ' ALA . 16.3 m-85 -101.84 113.15 26.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' PHE . 54.2 ttt-85 -38.82 -49.98 1.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.07 132.01 21.35 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.475 ' CB ' HG22 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.08 -34.57 3.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.565 1.824 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.58 -44.75 96.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.66 -34.98 72.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.498 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . . . -63.81 -36.29 83.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -65.88 -51.77 55.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -22.98 5.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.252 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.5 t -85.74 -44.63 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 66' ' ' GLN . 11.6 mt -62.51 -42.18 99.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -38.99 -30.88 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.449 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 1.3 tt0 -93.02 114.53 27.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.86 2.2 20.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -121.5 142.49 50.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.573 ' CD2' HD22 ' A' ' 78' ' ' LEU . 64.5 m-70 -148.11 127.01 12.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.645 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.02 130.36 55.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.445 ' CD2' ' HA ' ' A' ' 25' ' ' LEU . 42.8 tp -150.24 95.66 2.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.402 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.6 OUTLIER 58.12 60.03 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.579 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 52.54 82.33 0.04 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.52 1.137 . . . . 0.0 111.027 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 175.76 140.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 0.788 . . . . 0.0 109.251 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -98.37 95.72 7.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.442 ' CD2' ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -77.59 124.83 28.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' ARG . 7.0 m -89.22 101.83 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.573 HD22 ' CD2' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -86.71 141.32 28.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 12' ' ' GLU . 80.3 mtt180 -152.63 158.01 33.34 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 119.72 5.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.79 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.18 154.26 93.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.567 1.825 . . . . 0.0 110.98 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.474 HG21 ' CB ' ' A' ' 57' ' ' PRO . 2.1 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.13 150.13 52.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.0 t -141.26 116.65 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.91 115.59 15.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.344 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.414 ' CG2' HD13 ' A' ' 78' ' ' LEU . 71.6 t -95.74 143.09 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.94 149.22 52.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.3 66.93 2.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.461 ' CD2' HD11 ' A' ' 25' ' ' LEU . 3.6 tp -128.21 117.4 20.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 147.72 34.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.426 ' C ' ' N ' ' A' ' 20' ' ' VAL . 18.2 Cg_endo -74.98 -37.15 2.16 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.462 1.77 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.37 -28.48 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' A' ' 18' ' ' PRO . 21.5 t -87.57 123.61 69.16 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 153.48 42.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -57.36 -32.76 67.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -46.09 -54.67 8.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.536 HD13 ' CD2' ' A' ' 72' ' ' HIS . 0.4 OUTLIER -65.24 -49.6 69.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.461 HD11 ' CD2' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -40.05 -44.59 1.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.6 p -80.78 -51.75 8.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.463 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.507 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -43.06 -33.13 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.445 ' OH ' ' ND1' ' A' ' 69' ' ' HIS . 46.5 t80 -79.32 -67.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.507 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 13.6 m-85 -49.75 -30.97 10.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 111.044 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -71.83 -45.92 59.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.341 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -64.33 143.38 57.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -30.49 17.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -74.41 -32.24 62.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.348 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -74.14 -39.11 63.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.321 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.99 -66.45 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 110.037 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.86 52.11 0.21 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.75 -140.42 5.6 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.02 -151.67 5.53 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 133.44 16.57 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.53 1.805 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.462 HG13 ' CD2' ' A' ' 52' ' ' LEU . 45.5 t -90.13 128.19 42.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.54 -55.78 12.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.87 179.28 9.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.401 ' CE2' ' CD2' ' A' ' 25' ' ' LEU . 7.4 t-105 -145.47 111.04 5.4 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -98.61 102.06 13.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.88 122.59 28.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -126.41 91.69 3.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.02 -117.28 8.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.57 1.169 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.5 m -50.71 -79.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -102.92 -106.47 3.05 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.98 177.26 17.8 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.6 t -96.06 130.67 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.538 HD22 ' CE1' ' A' ' 54' ' ' PHE . 1.2 tt -109.36 153.49 23.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.1 m -117.88 126.69 52.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.421 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.538 ' CE1' HD22 ' A' ' 52' ' ' LEU . 26.0 m-85 -106.83 113.73 27.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 54' ' ' PHE . 51.5 ttt180 -38.2 -54.55 1.38 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.97 130.32 23.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.474 ' CB ' HG21 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.01 -33.66 4.4 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.544 1.813 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.13 -46.62 89.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -40.09 77.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.435 ' HB2' ' CG ' ' A' ' 54' ' ' PHE . . . -57.35 -40.86 78.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -52.56 -51.59 58.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -32.98 50.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 38.7 t -74.95 -34.23 32.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.429 ' C ' ' N ' ' A' ' 66' ' ' GLN . 13.1 mt -75.36 -47.32 28.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -39.25 -31.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.429 ' N ' ' C ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -97.32 104.99 17.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.31 0.68 18.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -116.98 135.74 53.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.248 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.546 ' CD2' HD22 ' A' ' 78' ' ' LEU . 72.1 m-70 -151.15 144.05 24.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.567 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -128.21 130.3 47.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.448 ' CD2' ' HA ' ' A' ' 25' ' ' LEU . 13.8 tp -149.5 99.38 2.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.232 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.536 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.5 OUTLIER 59.49 68.59 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.621 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 40.89 87.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 171.58 146.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 0.794 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -99.42 107.88 20.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.415 ' N ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -94.23 116.93 29.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.8 112.99 23.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.546 HD22 ' CD2' ' A' ' 69' ' ' HIS . 1.5 mm? -94.14 137.66 33.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -152.65 160.72 30.76 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 117.38 4.88 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.12 155.83 89.46 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 111.027 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.446 HG13 ' CB ' ' A' ' 60' ' ' ALA . 22.1 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.82 148.44 50.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 88.1 t -131.38 119.07 42.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.433 ' HB2' ' HA ' ' A' ' 81' ' ' ALA . 18.2 tt0 -75.53 111.43 10.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.463 ' CG2' HD12 ' A' ' 78' ' ' LEU . 75.5 t -94.37 134.42 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -134.2 146.49 50.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.74 67.54 1.72 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.474 ' CD2' HD11 ' A' ' 25' ' ' LEU . 0.7 OUTLIER -133.01 125.03 18.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 147.52 34.28 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -29.36 8.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.4 -26.68 13.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.3 t -91.83 122.47 65.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.327 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.453 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.2 Cg_endo -75.0 162.29 37.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -63.26 -39.54 94.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -40.4 -52.78 2.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -66.93 -49.17 66.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.543 ' CD2' ' CE2' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -40.15 -43.94 1.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 49.5 p -81.04 -52.22 7.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.417 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.498 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -42.03 -33.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -79.66 -63.37 1.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.471 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 15.1 m-85 -53.98 -49.54 68.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -50.44 -51.61 45.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.239 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.449 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 3.9 t-20 -56.35 144.79 29.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.25 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -83.1 -57.93 3.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -47.47 -47.38 27.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.449 ' CG ' ' HB3' ' A' ' 31' ' ' ASN . 18.0 mmm180 -53.21 -63.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.7 p -116.61 -68.11 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 130.01 59.48 0.1 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.14 -148.76 6.49 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.71 -149.45 5.36 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 97.02 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.553 1.818 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.2 t -50.24 122.86 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -56.83 16.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.0 179.04 9.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.543 ' CE2' ' CD2' ' A' ' 25' ' ' LEU . 8.0 t-105 -151.21 111.66 4.18 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -99.86 97.25 8.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.502 ' HG3' ' CZ2' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -73.57 131.46 41.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.473 ' CG ' ' HA2' ' A' ' 50' ' ' GLY . 81.0 mt -113.9 -169.54 1.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 46' ' ' LEU . . . -35.45 -65.93 0.41 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 m -100.65 -75.43 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.69 -107.51 1.06 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.473 ' HA2' ' CG ' ' A' ' 46' ' ' LEU . . . 141.97 170.46 12.52 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 t -92.92 127.29 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.525 HD11 ' CE3' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -109.69 156.41 20.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.7 m -125.3 133.8 52.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.391 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.518 ' CE2' HG23 ' A' ' 63' ' ' VAL . 14.5 m-85 -111.53 119.03 37.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -39.04 -55.49 1.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -100.08 150.61 37.04 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.422 ' CA ' HG23 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.06 -51.24 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.524 1.802 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.76 -42.45 93.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -59.36 -30.01 68.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.446 ' CB ' HG13 ' A' ' 9' ' ' VAL . . . -78.89 -43.06 25.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.371 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.3 -43.25 99.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.351 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -56.92 -17.55 10.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.518 HG23 ' CE2' ' A' ' 54' ' ' PHE . 56.6 t -91.51 -44.72 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.448 ' C ' ' N ' ' A' ' 66' ' ' GLN . 10.6 mt -61.98 -38.08 87.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.81 -30.19 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.454 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 1.5 tt0 -92.5 112.79 24.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.88 2.37 20.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -129.06 149.71 50.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.356 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.53 ' CD2' HD21 ' A' ' 78' ' ' LEU . 84.3 m-70 -153.98 137.21 15.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.624 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -124.41 121.96 36.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.5 tp -143.93 100.02 3.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.417 ' NE2' HD11 ' A' ' 24' ' ' LEU . 0.3 OUTLIER 64.62 54.46 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.571 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 50.69 77.61 0.12 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -177.92 137.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.324 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -91.32 100.57 13.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.417 HD11 ' N ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -80.54 130.24 35.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 m -95.64 99.83 11.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.563 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -86.84 143.11 27.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -152.75 161.09 30.09 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 113.56 3.82 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.514 1.797 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.433 ' HA ' ' HB2' ' A' ' 12' ' ' GLU . . . -66.84 160.67 67.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.431 HG21 ' CA ' ' A' ' 57' ' ' PRO . 6.1 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.29 144.31 50.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.2 t -126.77 124.69 65.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -75.87 117.66 17.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.1 t -101.13 129.79 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -129.8 145.5 51.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 14' ' ' ARG . . . 77.44 61.25 2.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.543 1.152 . . . . 0.0 111.051 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.489 ' CD1' ' CD1' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -132.9 123.02 17.9 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 109.334 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 149.17 36.27 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.799 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -29.87 7.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.515 1.797 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.99 -30.85 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t -87.39 128.31 55.54 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.4 24.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -76.06 -12.52 60.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.15 -46.87 75.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.34 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.502 HD11 ' CD2' ' A' ' 72' ' ' HIS . 0.3 OUTLIER -72.13 -51.61 20.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.554 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -39.14 -38.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' GLU . 29.5 p -85.6 -50.89 6.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.357 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.498 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -44.05 -34.38 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -76.97 -62.22 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.554 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 15.7 m-85 -57.38 -17.76 14.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' THR . 2.0 mt-10 -86.5 -43.18 12.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.47 124.46 23.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -24.3 54.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -48.43 17.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -66.97 -49.32 65.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' A' ' 36' ' ' GLY . 0.4 OUTLIER -102.95 -82.25 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.404 ' N ' ' OG ' ' A' ' 35' ' ' SER . . . 123.91 61.42 0.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.436 ' HA3' ' CG2' ' A' ' 63' ' ' VAL . . . -142.07 -109.91 0.77 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.76 -153.56 7.13 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 156.16 42.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.558 1.82 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.461 HG13 ' CD2' ' A' ' 52' ' ' LEU . 71.8 t -110.99 125.06 68.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -66.44 -55.08 17.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 t -157.26 178.92 9.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.47 ' CE3' HD13 ' A' ' 52' ' ' LEU . 10.4 t-105 -146.75 140.41 25.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 107.982 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.49 111.35 13.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -86.53 110.96 20.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -123.49 92.25 3.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 60.57 -145.85 47.07 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.4 m -65.61 78.31 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . 128.79 -130.07 6.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 138.27 173.26 12.88 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.5 t -102.99 127.51 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.318 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.566 HD22 ' CE1' ' A' ' 54' ' ' PHE . 1.1 tt -109.59 151.1 27.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.9 m -119.59 128.2 53.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.566 ' CE1' HD22 ' A' ' 52' ' ' LEU . 22.7 m-85 -104.93 126.68 52.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.445 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 48.4 ttt85 -40.11 -60.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -102.4 157.21 34.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.431 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.3 Cg_endo -75.0 -52.86 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.445 1.761 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.81 -38.69 82.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -66.72 -19.11 65.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.471 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . . . -93.3 -32.29 14.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.426 ' HG2' ' N ' ' A' ' 62' ' ' ARG . 3.5 pt-20 -72.42 -39.16 68.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.426 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -58.08 -19.62 33.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.436 ' CG2' ' HA3' ' A' ' 37' ' ' GLY . 22.9 t -90.0 -46.66 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.362 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.433 ' C ' ' N ' ' A' ' 66' ' ' GLN . 10.4 mt -59.3 -40.11 85.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.73 -30.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.446 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 8.6 tt0 -86.32 116.31 24.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.16 2.74 19.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 109.287 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -129.15 147.3 50.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.573 ' CD2' HD23 ' A' ' 78' ' ' LEU . 75.7 m-70 -153.04 126.23 8.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.568 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.87 129.38 50.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 25' ' ' LEU . 2.2 tp -149.49 105.73 3.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.502 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER 61.41 68.53 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 109.612 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 72' ' ' HIS . . . 37.64 88.74 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.454 1.096 . . . . 0.0 111.019 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 170.68 148.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.367 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -101.1 105.8 17.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.47 ' N ' ' CD2' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -91.46 131.42 36.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.0 m -98.38 99.91 11.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.573 HD23 ' CD2' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -86.73 139.0 31.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -152.76 162.49 26.29 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 114.63 4.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.55 1.816 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.22 170.47 6.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.523 1.802 . . . . 0.0 111.009 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 57' ' ' PRO . 41.1 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.47 143.81 49.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.1 t -128.34 120.63 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.69 114.61 12.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.471 ' CG2' HD12 ' A' ' 78' ' ' LEU . 96.3 t -95.62 135.18 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 77' ' ' SER . 2.6 ttm180 -134.29 146.94 50.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.3 65.24 2.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.482 HD12 ' CD1' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -129.39 126.68 22.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.556 0.798 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 151.38 39.59 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.53 1.805 . . . . 0.0 111.045 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -43.79 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.515 1.797 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.5 -37.44 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.5 t -80.57 122.21 82.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.476 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.6 Cg_endo -74.9 179.91 5.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' GLU . 4.7 p-10 -76.89 -45.94 26.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.467 ' CG ' HD22 ' A' ' 24' ' ' LEU . 1.1 pm0 -35.3 -51.05 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -66.95 -52.75 39.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.546 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -39.67 -37.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.8 p -87.95 -49.08 7.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.426 1.079 . . . . 0.0 110.385 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -45.91 -30.21 1.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.402 ' CE1' ' O ' ' A' ' 70' ' ' GLU . 58.0 t80 -82.81 -64.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.568 ' CZ ' HD13 ' A' ' 78' ' ' LEU . 13.3 m-85 -54.04 -27.25 31.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -75.74 -45.44 36.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.65 139.17 57.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 33' ' ' ARG . 10.0 ptt180 -83.94 -37.08 22.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -63.84 -49.64 72.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -58.24 -58.95 6.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 t -104.86 -82.07 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.53 79.91 0.33 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.554 1.159 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.14 -89.52 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.04 -153.55 11.76 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.93 21.53 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.7 t -121.21 123.45 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -54.63 23.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.86 179.5 9.05 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.544 ' CZ2' HD22 ' A' ' 25' ' ' LEU . 8.6 t-105 -147.01 122.24 10.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 108.01 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.59 104.56 12.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.411 ' C ' ' CD2' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -82.9 121.01 26.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 110.338 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.411 ' CD2' ' C ' ' A' ' 45' ' ' ARG . 3.4 mm? -130.24 87.6 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.35 -117.58 4.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 97.2 m -81.84 -51.27 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.71 -120.49 4.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 139.14 166.42 10.6 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.3 t -89.8 124.04 42.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.773 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.457 HD22 ' CE1' ' A' ' 54' ' ' PHE . 3.3 tt -109.88 153.26 24.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.3 m -120.87 138.05 54.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.502 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 16.0 m-85 -112.3 125.24 53.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.0 ttt85 -38.13 -60.77 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -99.39 155.7 36.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.423 ' HB3' ' CG2' ' A' ' 9' ' ' VAL . 18.3 Cg_endo -74.99 -53.16 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.556 1.819 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.81 -39.52 89.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -61.22 -25.17 66.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.502 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . . . -81.62 -53.59 6.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -56.4 -36.66 69.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -27.44 40.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.5 t -85.91 -44.92 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 65' ' ' ALA . 9.9 mt -56.75 -38.88 73.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.45 -36.14 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.443 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 0.2 OUTLIER -88.0 116.26 26.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.14 2.56 20.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -125.72 145.22 50.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.556 ' CD2' HD23 ' A' ' 78' ' ' LEU . 65.8 m-70 -148.67 134.22 18.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.579 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.402 ' O ' ' CE1' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -119.43 132.26 55.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.46 ' CB ' HD23 ' A' ' 76' ' ' LEU . 43.6 tp -152.53 95.62 2.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 60.45 61.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.557 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 48.52 76.84 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -177.74 132.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.746 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -87.93 97.49 10.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.46 HD23 ' CB ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -78.57 125.4 29.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.142 . . . . 0.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 14' ' ' ARG . 13.7 m -90.93 101.05 13.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.568 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -86.57 143.9 27.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -152.76 158.44 33.11 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.132 . . . . 0.0 110.255 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 115.53 4.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.485 1.782 . . . . 0.0 111.044 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.96 158.09 82.14 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 111.006 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.494 ' O ' ' CG2' ' A' ' 53' ' ' THR . 2.0 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.07 144.57 45.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.5 t -132.32 118.83 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -74.81 116.11 15.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 110.338 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.3 t -103.43 136.99 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.488 ' HG2' ' CB ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -139.06 149.2 44.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.93 42.52 10.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.453 ' CD2' HD11 ' A' ' 25' ' ' LEU . 0.9 OUTLIER -111.91 123.47 34.49 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.777 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 147.94 34.8 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.458 1.767 . . . . 0.0 111.035 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -32.98 4.93 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.479 1.779 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.49 -31.78 4.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -87.24 124.42 68.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 161.46 38.8 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.478 1.778 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -62.84 -39.41 94.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -39.95 -55.75 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -63.08 -50.78 69.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.592 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -40.31 -42.17 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.4 p -83.81 -51.15 7.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.432 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.499 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -43.26 -31.91 0.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.351 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.432 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 24.4 t80 -81.65 -65.24 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 15.2 m-85 -51.08 -49.93 59.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -51.58 -50.76 59.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -55.56 147.71 17.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.228 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -64.03 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.8 -51.45 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.432 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 6.8 mmp_? -46.53 -67.08 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 88.3 p -115.24 -72.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.017 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 134.33 60.38 0.07 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.36 -151.65 7.57 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.1 -154.04 6.95 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 97.85 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.002 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.8 t -45.93 119.51 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -58.45 -53.78 54.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.1 t -154.7 172.95 17.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.567 ' CZ2' HD21 ' A' ' 25' ' ' LEU . 15.1 t-105 -146.22 130.75 17.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 107.966 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -126.62 97.39 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -71.84 121.35 18.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.8 mt -112.04 -167.94 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -42.85 -87.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.14 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 61.7 m -55.34 -77.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.09 -85.86 1.23 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 145.42 159.57 8.19 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.1 t -86.94 127.73 40.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.501 HD21 ' CE1' ' A' ' 54' ' ' PHE . 1.0 OUTLIER -110.03 148.94 30.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.376 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 9' ' ' VAL . 7.7 m -115.39 122.12 44.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.365 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.513 ' CG ' ' HB1' ' A' ' 60' ' ' ALA . 9.2 m-85 -98.91 113.3 25.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.454 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 58.2 ttt-85 -38.57 -42.88 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.72 133.73 23.59 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.47 ' CB ' HG21 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.01 -36.12 2.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.09 -37.8 86.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -78.71 -24.51 44.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.513 ' HB1' ' CG ' ' A' ' 54' ' ' PHE . . . -77.29 -41.78 39.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -52.99 -47.99 67.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.252 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.12 -33.18 62.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.6 t -75.16 -36.8 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 65' ' ' ALA . 12.7 mt -70.89 -43.74 67.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.32 -33.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.405 ' N ' ' C ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -94.02 106.26 18.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.45 -0.08 18.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.413 ' O ' ' CD2' ' A' ' 69' ' ' HIS . 3.9 t70 -119.44 139.73 51.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.566 ' CD2' HD23 ' A' ' 78' ' ' LEU . 67.7 m-70 -150.95 134.82 16.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.603 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.6 124.26 44.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.419 ' CD2' ' HA ' ' A' ' 25' ' ' LEU . 15.0 tp -145.15 102.63 3.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 58.69 65.89 1.16 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 109.579 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 74' ' ' ALA . . . 41.95 86.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . 168.42 139.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -93.77 110.13 21.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.4 ' CD1' ' N ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -90.25 131.76 35.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.488 ' CB ' ' HG2' ' A' ' 14' ' ' ARG . 0.9 OUTLIER -94.34 105.59 17.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.566 HD23 ' CD2' ' A' ' 69' ' ' HIS . 1.1 mm? -93.8 133.92 36.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.6 mtt-85 -152.65 161.4 29.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 115.21 4.22 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.23 162.35 55.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 110.997 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.472 HG21 ' CB ' ' A' ' 57' ' ' PRO . 2.0 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.73 140.21 42.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.6 t -128.32 118.19 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' ARG . 52.6 tt0 -73.64 108.92 6.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.473 ' CG2' HD11 ' A' ' 78' ' ' LEU . 97.7 t -91.47 139.44 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -136.55 145.14 44.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.09 66.52 2.01 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -135.06 126.34 17.59 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 109.265 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 146.82 33.18 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.537 1.809 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -35.21 3.29 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.797 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.33 -45.0 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.5 t -72.39 127.27 90.38 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 168.91 23.79 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.475 1.776 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -73.45 -22.92 60.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.36 -52.81 62.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.474 HD12 ' CD2' ' A' ' 72' ' ' HIS . 0.3 OUTLIER -67.31 -48.74 66.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.475 ' CD1' HD11 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -40.62 -45.84 2.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.8 p -78.06 -50.75 11.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.5 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -44.28 -31.84 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -79.47 -66.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.565 ' CZ ' HD12 ' A' ' 78' ' ' LEU . 19.6 m-85 -52.58 -29.73 27.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -73.34 -45.51 54.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.12 137.72 57.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -85.68 -37.84 18.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.6 mtt85 -63.03 -46.15 88.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.266 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -58.63 -63.45 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.78 -73.14 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.7 65.75 0.16 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.93 -131.48 2.71 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.65 -156.04 6.67 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.17 31.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.447 1.761 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.0 t -98.81 129.54 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.358 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -55.41 8.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.41 179.35 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.959 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.537 ' CZ2' ' HA ' ' A' ' 45' ' ' ARG . 9.5 t-105 -148.44 132.55 17.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 108.022 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -121.31 97.26 5.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.537 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 11.7 ttp180 -74.26 130.03 38.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 64.9 mt -131.21 98.69 4.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.22 -117.82 5.33 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 58.9 m -88.38 62.19 6.53 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 146.39 -140.21 8.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 140.36 161.57 8.76 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.0 t -92.72 130.81 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.552 HD23 ' CE1' ' A' ' 54' ' ' PHE . 5.2 tt -109.88 150.92 27.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.8 m -115.59 120.89 40.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 110.393 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.552 ' CE1' HD23 ' A' ' 52' ' ' LEU . 23.1 m-85 -102.05 119.29 38.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.6 ttt85 -41.46 -56.14 2.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -105.44 133.06 20.36 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.08 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.472 ' CB ' HG21 ' A' ' 9' ' ' VAL . 18.1 Cg_endo -74.97 -34.94 3.47 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.504 1.792 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.85 -50.92 72.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.69 -39.27 93.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.46 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . . . -57.57 -40.69 79.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -59.34 -46.47 88.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -24.32 63.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.266 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 39.3 t -83.66 -39.87 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' A' ' 66' ' ' GLN . 11.7 mt -67.59 -43.64 80.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -39.44 -30.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.449 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -89.51 112.23 23.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.36 2.08 19.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -123.16 141.09 52.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.576 ' CD2' HD21 ' A' ' 78' ' ' LEU . 68.7 m-70 -147.43 121.17 9.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.57 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.94 130.99 53.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.435 ' HB3' ' CD2' ' A' ' 76' ' ' LEU . 27.1 tp -151.48 95.51 2.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.474 ' CD2' HD12 ' A' ' 24' ' ' LEU . 0.8 OUTLIER 60.77 50.25 5.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.58 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.39 73.79 0.43 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.95 127.78 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.763 . . . . 0.0 109.305 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -88.65 93.48 9.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -76.61 135.03 39.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.8 m -95.4 100.52 12.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.576 HD21 ' CD2' ' A' ' 69' ' ' HIS . 0.5 OUTLIER -86.85 137.12 32.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 12' ' ' GLU . 78.1 mtt180 -152.59 157.29 33.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 122.73 7.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.1 158.49 81.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.493 1.786 . . . . 0.0 111.019 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.416 HG21 ' CA ' ' A' ' 57' ' ' PRO . 29.0 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.48 151.97 48.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.9 t -135.72 118.99 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.33 110.79 9.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.473 HG22 ' CD1' ' A' ' 78' ' ' LEU . 75.5 t -89.5 136.22 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.473 ' HG3' ' N ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -131.21 142.05 50.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.473 ' N ' ' HG3' ' A' ' 14' ' ' ARG . . . 75.69 68.98 1.45 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.496 ' CD2' HD12 ' A' ' 25' ' ' LEU . 0.7 OUTLIER -134.59 124.76 17.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 109.269 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 150.12 37.61 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.538 1.809 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -40.58 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.432 1.753 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.34 -41.58 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.472 HG13 ' CD2' ' A' ' 71' ' ' LEU . 58.6 t -72.38 120.82 82.61 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.473 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.4 Cg_endo -74.99 149.24 36.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.547 1.814 . . . . 0.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -51.67 -38.3 54.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -41.57 -55.56 2.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.473 ' CD1' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -64.68 -51.67 61.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.505 ' CD2' ' CE2' ' A' ' 43' ' ' TRP . 2.8 tp -39.59 -44.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.0 p -79.5 -46.81 16.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.82 -38.07 33.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.484 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 28.6 t80 -71.57 -60.14 2.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.483 ' CZ ' HD13 ' A' ' 78' ' ' LEU . 13.3 m-85 -55.79 -40.62 72.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -61.2 -48.54 81.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.443 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 2.7 t-20 -58.08 143.07 44.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -60.25 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -47.44 -53.76 13.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.484 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 86.0 mmt-85 -42.81 -60.69 1.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -125.3 -68.65 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 120.95 75.0 0.39 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.37 -102.1 0.78 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.35 -155.62 18.24 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 103.07 1.67 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.433 ' CG1' HD21 ' A' ' 52' ' ' LEU . 55.0 t -57.45 120.74 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.71 -56.81 16.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.59 179.6 8.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.505 ' CE2' ' CD2' ' A' ' 25' ' ' LEU . 9.0 t-105 -148.22 114.83 5.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 107.987 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -105.9 97.71 7.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.43 127.26 32.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.3 mt -119.39 73.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.43 -90.67 0.73 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.122 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.8 m -80.95 -77.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.02 -112.6 1.26 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.82 168.26 12.06 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.8 t -93.34 129.56 43.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.524 HD23 ' CE1' ' A' ' 54' ' ' PHE . 1.1 tt -109.6 153.42 24.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.6 m -119.6 135.83 54.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.524 ' CE1' HD23 ' A' ' 52' ' ' LEU . 17.4 m-85 -113.94 122.93 48.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 54' ' ' PHE . 44.0 ttt180 -38.13 -59.63 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -98.1 154.13 37.84 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.416 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.5 Cg_endo -74.99 -52.04 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.461 1.769 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.69 75.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -65.52 -17.72 64.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -93.43 -40.95 10.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HG2' ' N ' ' A' ' 62' ' ' ARG . 4.2 pt-20 -61.82 -40.59 95.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.342 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.412 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -57.63 -36.08 71.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.568 HG12 ' CE1' ' A' ' 69' ' ' HIS . 60.1 t -73.7 -39.99 53.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 66' ' ' GLN . 13.6 mt -65.95 -44.43 85.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -38.8 -31.0 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 64' ' ' LEU . 1.1 tt0 -97.75 107.67 20.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.58 0.52 19.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -118.27 135.21 54.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.568 ' CE1' HG12 ' A' ' 63' ' ' VAL . 85.1 m-70 -153.1 125.01 7.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.614 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.99 142.93 38.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.475 ' CB ' HD21 ' A' ' 76' ' ' LEU . 44.5 tp -154.24 95.77 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 54.41 66.91 1.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.589 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 74' ' ' ALA . . . 49.89 82.18 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . 168.49 126.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -87.95 112.01 22.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.475 HD21 ' CB ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -90.2 121.43 32.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' ARG . 20.3 m -87.81 104.78 16.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.483 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 1.6 mm? -86.47 141.53 29.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -152.78 159.05 32.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 117.19 4.81 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.15 169.18 8.99 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.441 HG23 ' CA ' ' A' ' 57' ' ' PRO . 16.5 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.32 143.88 51.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 52.8 t -127.32 124.38 63.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.94 116.62 14.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.473 ' CG2' HD11 ' A' ' 78' ' ' LEU . 85.4 t -96.4 132.37 40.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 77' ' ' SER . 14.8 ttm180 -132.89 147.13 52.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.18 68.5 1.59 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.473 HD13 ' CD1' ' A' ' 25' ' ' LEU . 1.2 tp -134.52 124.58 17.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 151.93 40.16 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.457 1.767 . . . . 0.0 111.051 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.422 ' C ' ' N ' ' A' ' 20' ' ' VAL . 18.2 Cg_endo -75.02 -43.11 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.444 1.76 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.87 -28.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.422 ' N ' ' C ' ' A' ' 18' ' ' PRO . 57.1 t -88.92 121.55 69.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.482 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.3 Cg_endo -74.99 -179.67 5.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' GLU . 6.0 p-10 -77.23 -46.24 23.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.489 ' CG ' HD21 ' A' ' 24' ' ' LEU . 1.2 pm0 -35.08 -51.06 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -66.27 -52.77 44.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.578 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -39.16 -40.19 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.8 p -84.41 -50.87 7.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -42.8 -31.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -82.49 -63.0 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.578 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 15.5 m-85 -54.07 -44.91 71.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -61.56 -44.6 96.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -55.45 134.67 50.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 ptt-85 -86.92 -29.65 21.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -45.41 19.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -62.33 -51.72 66.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.356 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.61 -77.29 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.006 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.48 73.01 0.5 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.501 1.125 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.75 -81.04 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.95 -157.18 28.52 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.422 ' HG2' ' CD ' ' A' ' 55' ' ' ARG . 18.3 Cg_endo -74.97 155.01 43.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.4 t -104.53 122.43 57.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.447 ' CD1' ' HA ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -63.02 -53.23 57.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.0 179.56 9.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.439 ' CZ2' HD21 ' A' ' 25' ' ' LEU . 8.8 t-105 -147.36 125.39 12.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 107.992 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -115.97 99.08 7.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -80.48 131.11 35.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.6 mt -128.34 -134.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -68.71 100.74 0.71 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.2 m 69.47 -65.43 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . -90.13 -114.07 1.57 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 135.69 173.97 13.21 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' GLN . 2.6 t -96.81 127.64 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.443 HD21 ' CE1' ' A' ' 54' ' ' PHE . 2.3 tt -110.58 152.2 26.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.4 m -122.04 132.71 54.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.408 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 13.9 m-85 -106.94 137.21 45.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.447 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 28.3 ttt180 -45.13 -62.29 1.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -103.7 160.22 26.81 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.441 ' CA ' HG23 ' A' ' 9' ' ' VAL . 18.1 Cg_endo -75.02 -46.33 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.448 1.762 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 62' ' ' ARG . . . -61.76 -44.04 97.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -57.7 -42.65 84.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.57 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . . . -67.4 -36.26 80.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -74.0 -34.52 64.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -62.52 -19.32 63.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 44.1 t -92.94 -44.2 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.423 ' C ' ' N ' ' A' ' 66' ' ' GLN . 9.2 mt -57.63 -38.78 75.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.21 -31.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.451 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 5.4 tt0 -90.51 114.88 27.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.04 2.38 20.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -127.7 147.65 50.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.364 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.566 ' CD2' HD21 ' A' ' 78' ' ' LEU . 61.2 m-70 -150.5 135.96 18.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.592 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.07 124.91 45.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.473 ' CD2' ' HA ' ' A' ' 25' ' ' LEU . 21.3 tp -144.64 98.93 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.493 ' CD2' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER 57.29 58.58 3.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.596 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 52.34 84.18 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 173.88 133.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -89.48 96.04 10.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.439 HD23 ' CB ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -77.23 126.34 30.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ARG . 6.4 m -92.97 99.69 12.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.566 HD21 ' CD2' ' A' ' 69' ' ' HIS . 0.4 OUTLIER -88.07 143.69 26.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -152.61 161.97 27.75 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.364 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 118.54 5.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.38 164.75 34.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 111.019 179.966 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.428 HG23 ' CA ' ' A' ' 57' ' ' PRO . 3.1 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.53 143.67 45.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.464 ' CG1' HD21 ' A' ' 64' ' ' LEU . 57.8 t -127.33 119.13 51.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -76.66 115.99 16.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.283 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.431 ' CG2' HD11 ' A' ' 78' ' ' LEU . 84.3 t -97.08 139.51 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.41 ' N ' HG11 ' A' ' 13' ' ' VAL . 7.9 ttm180 -134.28 147.07 50.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.98 66.45 2.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.464 ' HA ' ' CD1' ' A' ' 76' ' ' LEU . 2.3 tp -128.27 124.74 23.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 150.07 37.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.92 2.28 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.459 1.768 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.49 -34.21 2.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.9 t -86.57 120.47 71.99 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.3 Cg_endo -75.02 -179.94 5.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 23' ' ' GLU . 6.0 p-10 -76.72 -46.42 25.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.466 ' CG ' HD23 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -35.13 -49.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -69.5 -53.3 19.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.597 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -39.78 -39.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' GLU . 49.9 p -83.04 -46.47 12.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.366 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.482 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.82 -30.57 14.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -80.41 -49.87 10.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 22.6 m-85 -76.62 0.84 18.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' THR . 17.2 mt-10 -101.32 -39.5 7.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.274 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.459 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -74.63 127.37 32.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -66.31 -53.29 38.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -50.06 62.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.459 ' CG ' ' HB3' ' A' ' 31' ' ' ASN . 0.2 OUTLIER -52.84 -62.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -105.76 -73.74 0.67 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 109.967 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.41 ' N ' ' OG ' ' A' ' 35' ' ' SER . . . 121.53 49.75 0.26 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.31 -100.67 1.48 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.28 -155.02 11.88 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 141.01 25.95 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.548 1.814 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.5 t -95.76 122.12 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -55.42 30.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.25 179.29 9.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.552 ' CZ2' ' HA ' ' A' ' 45' ' ' ARG . 11.1 t-105 -151.16 132.12 14.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 107.978 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -124.04 97.24 5.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.552 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 31.5 ttp180 -69.5 136.71 51.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.343 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 49' ' ' GLY . 31.8 mt -143.34 128.81 19.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.371 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' LEU . . . 37.93 -116.06 0.43 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 23.6 p -101.29 51.76 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' LEU . . . 166.85 -128.48 1.75 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 136.16 160.93 8.97 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.7 t -91.39 128.47 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' A' ' 54' ' ' PHE . 0.7 OUTLIER -109.75 156.64 20.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.0 m -123.71 133.69 53.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CE2' HG21 ' A' ' 63' ' ' VAL . 16.4 m-85 -112.61 121.12 43.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.1 ttt-85 -38.75 -57.55 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -99.32 151.23 37.34 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.083 . . . . 0.0 110.356 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.428 ' CA ' HG23 ' A' ' 9' ' ' VAL . 18.3 Cg_endo -74.94 -51.21 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.31 -44.02 88.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -56.44 -33.91 66.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.57 -59.04 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -50.76 -46.33 59.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -47.26 -35.95 8.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.564 HG21 ' CE2' ' A' ' 54' ' ' PHE . 26.3 t -77.73 -36.73 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.464 HD21 ' CG1' ' A' ' 11' ' ' VAL . 26.8 mt -68.08 -37.92 81.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.06 -31.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.431 ' N ' ' C ' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -93.64 113.77 25.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.95 -0.56 21.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 69' ' ' HIS . 4.4 t70 -124.86 142.67 51.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.45 ' CE1' ' O ' ' A' ' 63' ' ' VAL . 96.0 m-70 -156.1 119.05 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.604 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.6 134.1 53.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 tp -150.92 99.52 2.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.41 ' NE2' HD13 ' A' ' 24' ' ' LEU . 1.7 m-70 65.92 69.46 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.617 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 72' ' ' HIS . . . 37.66 86.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 171.8 148.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.14 100.57 11.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -88.89 127.3 35.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.2 m -98.33 107.2 19.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.026 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.567 HD12 ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -91.12 137.21 32.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 12' ' ' GLU . 14.7 mtt-85 -152.69 160.09 31.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 120.96 6.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.36 157.99 83.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.42 HG23 ' CA ' ' A' ' 57' ' ' PRO . 14.1 t . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.85 145.9 51.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.5 t -129.21 117.55 43.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 79' ' ' ARG . 3.5 tm-20 -74.6 114.56 13.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.457 HG23 ' CD1' ' A' ' 78' ' ' LEU . 78.7 t -96.72 135.92 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.3 147.66 51.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.423 ' O ' ' CD1' ' A' ' 76' ' ' LEU . . . 73.1 68.12 1.66 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.473 ' CD2' HD13 ' A' ' 25' ' ' LEU . 1.9 tp -131.71 120.97 17.88 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.781 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 155.9 42.84 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.407 ' C ' ' N ' ' A' ' 20' ' ' VAL . 18.3 Cg_endo -74.93 -40.72 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.769 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.59 -32.23 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.453 HG12 ' CD2' ' A' ' 71' ' ' LEU . 4.7 t -85.75 123.49 72.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 170.92 19.35 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.79 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 23' ' ' GLU . 43.4 m-20 -70.5 -55.06 9.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -36.24 -44.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 110.272 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -65.4 -65.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.604 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -35.67 -38.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' GLU . 2.1 p -79.88 -47.7 14.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.412 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.529 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -48.26 -40.34 24.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -68.88 -52.08 33.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 19.9 m-85 -68.39 -12.61 61.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' THR . 6.9 mt-10 -88.36 -44.78 10.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -67.07 122.1 17.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -71.5 -21.43 61.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -76.6 -45.14 31.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -62.18 -54.67 37.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.2 p -112.87 -75.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.035 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.59 58.08 0.07 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.12 -124.9 2.68 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.03 -152.71 6.54 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 96.31 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.47 HG11 ' CD2' ' A' ' 52' ' ' LEU . 53.6 t -44.05 120.88 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -58.85 -57.56 12.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 t -147.84 176.95 9.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.57 ' CE3' HD12 ' A' ' 52' ' ' LEU . 8.6 t-105 -151.16 122.25 7.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 108.065 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -118.07 97.36 5.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -73.75 135.4 43.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.1 mt -133.48 -156.82 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.252 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 48' ' ' CYS . . . -69.15 120.87 10.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 47' ' ' GLY . 27.8 p 39.58 57.21 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 139.8 -141.2 11.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.86 167.07 13.5 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.2 t -93.56 125.02 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.57 HD12 ' CE3' ' A' ' 43' ' ' TRP . 2.1 tt -110.4 153.74 24.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.3 m -119.51 133.06 55.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.419 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.418 ' CE1' HD23 ' A' ' 52' ' ' LEU . 10.3 m-85 -109.05 122.8 48.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.463 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 49.2 ttt85 -41.26 -56.26 2.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -100.28 149.74 36.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.42 ' CA ' HG23 ' A' ' 9' ' ' VAL . 18.4 Cg_endo -75.0 -50.31 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.554 1.818 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.73 -45.18 86.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -55.33 -36.17 65.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.41 ' CB ' HG13 ' A' ' 9' ' ' VAL . . . -64.85 -52.67 55.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 64' ' ' LEU . 33.5 mm-40 -53.89 -52.29 60.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.3 mtt85 -43.81 -42.36 5.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.408 HG21 ' CE2' ' A' ' 54' ' ' PHE . 47.3 t -68.97 -37.11 76.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 61' ' ' GLU . 64.7 mt -69.74 -32.56 71.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -40.16 -30.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.438 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 2.9 tt0 -103.35 114.28 28.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.69 -0.31 23.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -121.88 139.13 54.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.559 ' CD2' HD22 ' A' ' 78' ' ' LEU . 89.7 m-70 -148.47 128.69 13.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.57 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.72 127.46 50.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.453 ' CD2' HG12 ' A' ' 20' ' ' VAL . 3.0 tp -145.0 98.28 3.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 66.79 68.59 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.593 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 39.93 88.17 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 169.54 147.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 0.803 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -101.65 105.87 16.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -91.94 125.86 36.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 m -93.77 101.57 13.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.567 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 1.1 mm? -86.57 136.86 32.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 12' ' ' GLU . 49.6 mtt180 -152.51 158.58 33.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 122.45 7.24 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.447 1.762 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.02 154.78 91.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.538 1.809 . . . . 0.0 110.99 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.458 HG23 ' CA ' ' A' ' 57' ' ' PRO . 24.2 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.93 148.79 51.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 97.3 t -133.51 123.7 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.78 113.48 10.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.246 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.463 ' CG2' HD13 ' A' ' 78' ' ' LEU . 75.0 t -95.39 129.94 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 77' ' ' SER . 2.1 ttm180 -131.16 145.63 52.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.97 66.95 1.82 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.475 HD12 ' CD1' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -134.99 125.58 17.25 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.563 0.802 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.83 34.54 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.534 1.807 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -32.62 5.24 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.11 -41.68 17.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.3 t -76.65 124.67 87.8 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 165.7 30.76 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 3.4 p-10 -65.85 -40.19 91.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -38.59 -55.28 1.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -65.03 -51.06 63.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.553 ' CD2' ' CE2' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -39.34 -43.86 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 48.8 p -81.08 -50.34 9.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.499 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -44.97 -34.14 2.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.519 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 46.5 t80 -75.27 -65.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.088 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.553 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 21.8 m-85 -53.58 -36.24 61.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -62.78 -48.8 77.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.405 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -69.17 142.81 54.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -78.48 -62.6 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -39.7 -47.49 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.519 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 6.1 mmt85 -51.89 -64.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 28' ' ' TYR . 2.4 p -119.75 -61.86 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.78 70.87 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.28 -151.07 5.37 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.9 -160.46 10.55 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 96.99 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.441 1.758 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.459 HG11 ' CD2' ' A' ' 52' ' ' LEU . 53.7 t -47.14 120.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.06 -59.45 4.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.31 179.43 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.024 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.553 ' CE2' ' CD2' ' A' ' 25' ' ' LEU . 7.8 t-105 -148.36 120.31 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -109.83 97.79 7.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 110.343 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.515 ' HG3' ' CZ2' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -72.11 133.06 44.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.7 mt -128.13 82.96 2.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.34 -85.51 0.1 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 0.0 111.064 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 60.5 m -92.74 -76.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.1 -118.14 0.51 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 134.15 161.52 9.63 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.0 t -88.33 125.67 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.76 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.459 ' CD2' HG11 ' A' ' 40' ' ' VAL . 1.8 tt -109.44 152.35 25.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.102 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.2 m -121.86 133.35 54.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.453 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.518 ' CG ' ' HB3' ' A' ' 60' ' ' ALA . 18.2 m-85 -108.32 129.0 55.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' PHE . 36.0 ttt85 -38.23 -61.99 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -105.27 161.26 23.3 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.458 ' CA ' HG23 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.08 -46.25 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.459 1.768 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.55 99.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -57.51 -36.81 72.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.518 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . . . -74.23 -46.57 40.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.44 -48.65 80.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -21.67 1.86 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.439 HG21 ' CE2' ' A' ' 54' ' ' PHE . 85.9 t -88.59 -51.96 11.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 65' ' ' ALA . 12.5 mt -54.38 -38.17 65.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.28 -36.23 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.458 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 10.8 tt0 -85.46 118.8 25.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.82 6.06 19.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.19 138.89 51.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.566 ' CD2' HD23 ' A' ' 78' ' ' LEU . 31.8 m-70 -146.51 131.53 18.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.601 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 71' ' ' LEU . 0.7 OUTLIER -120.75 135.67 55.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.438 ' CB ' HD21 ' A' ' 76' ' ' LEU . 26.2 tp -154.13 96.53 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 61.24 62.63 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 109.628 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 46.59 78.0 0.09 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -178.95 135.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -90.02 97.56 11.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.438 HD21 ' CB ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -77.7 126.37 30.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 14' ' ' ARG . 14.3 m -93.53 97.63 10.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.582 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 0.3 OUTLIER -87.21 142.05 28.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -152.59 160.63 30.92 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 119.92 5.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.777 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.44 157.84 84.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.495 1.787 . . . . 0.0 110.986 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.449 HG22 ' CA ' ' A' ' 57' ' ' PRO . 58.7 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.36 139.91 50.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.6 t -123.05 124.59 70.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 79' ' ' ARG . 5.7 tm-20 -74.94 112.28 11.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.447 ' CG2' HD11 ' A' ' 78' ' ' LEU . 74.8 t -96.86 135.52 30.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.13 145.94 44.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.93 69.54 1.38 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.442 1.089 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.464 ' CD2' HD13 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -136.4 124.63 15.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 0.76 . . . . 0.0 109.284 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 150.58 38.26 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -36.84 2.3 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.07 -41.56 5.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.5 t -74.07 122.2 86.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 156.47 43.16 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -59.25 -36.01 74.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.411 ' O ' ' OG1' ' A' ' 26' ' ' THR . 9.6 tt0 -43.12 -55.68 3.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -62.97 -51.44 66.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.536 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -40.1 -44.92 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 23' ' ' GLU . 62.6 p -80.04 -51.38 9.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.511 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -43.16 -37.17 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -73.63 -67.22 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.536 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 20.1 m-85 -50.31 -36.74 33.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -66.32 -47.04 74.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.441 ' CB ' ' HG3' ' A' ' 34' ' ' ARG . 1.1 m-20 -60.59 140.15 57.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.5 ptt-85 -89.37 -34.43 16.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -37.57 72.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.441 ' HG3' ' CB ' ' A' ' 31' ' ' ASN . 8.4 mmt180 -64.17 -56.64 13.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.79 -59.86 1.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.69 74.5 0.94 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.56 1.163 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.455 ' HA3' ' CG2' ' A' ' 63' ' ' VAL . . . -139.86 -79.94 0.07 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.49 -158.49 30.27 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.429 ' HG2' ' CD ' ' A' ' 55' ' ' ARG . 18.2 Cg_endo -75.03 147.06 33.3 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 110.931 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.9 t -102.47 132.54 48.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -57.42 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.16 179.35 7.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.533 ' CE3' HD11 ' A' ' 52' ' ' LEU . 7.7 t-105 -148.04 118.53 7.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 107.995 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -109.77 97.34 6.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.52 133.8 40.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 29.3 mt -133.73 -161.17 1.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.3 110.83 3.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.4 t 47.78 68.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 129.0 -131.21 6.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 137.45 165.25 10.34 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.3 t -87.91 123.51 40.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.533 HD11 ' CE3' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -109.65 141.46 42.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.5 m -111.19 128.21 55.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.418 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 11.2 m-85 -102.23 132.12 48.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.429 ' CD ' ' HG2' ' A' ' 39' ' ' PRO . 22.8 ttt180 -40.09 -61.8 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -105.39 161.61 22.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.449 ' CA ' HG22 ' A' ' 9' ' ' VAL . 18.5 Cg_endo -74.94 -47.06 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.507 1.793 . . . . 0.0 111.05 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.65 -44.49 96.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -55.46 -39.8 70.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.568 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . . . -70.03 -43.44 71.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -61.53 -51.36 68.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.49 -24.06 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.458 HG21 ' CE2' ' A' ' 54' ' ' PHE . 57.0 t -86.45 -43.35 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.426 ' C ' ' N ' ' A' ' 66' ' ' GLN . 11.1 mt -60.33 -41.29 93.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.39 -32.43 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.255 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.434 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 0.4 OUTLIER -90.44 113.31 25.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.9 1.38 20.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -124.69 144.59 50.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.57 ' CD2' HD21 ' A' ' 78' ' ' LEU . 88.3 m-70 -149.89 111.47 4.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.553 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.92 130.17 42.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.424 ' HB3' ' CD2' ' A' ' 76' ' ' LEU . 22.3 tp -151.7 95.6 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 53.48 64.89 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.619 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 48.98 86.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 171.03 141.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -103.54 93.81 5.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.451 ' CD1' ' N ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -72.01 127.43 32.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.7 m -90.31 98.59 11.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.57 HD21 ' CD2' ' A' ' 69' ' ' HIS . 0.9 OUTLIER -86.34 141.73 29.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 12' ' ' GLU . 20.2 mtm180 -152.86 158.77 32.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.88 3.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.03 163.16 47.26 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.51 1.795 . . . . 0.0 110.975 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.423 HG12 ' CB ' ' A' ' 60' ' ' ALA . 32.9 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.9 138.53 52.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.2 t -121.9 121.01 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -74.08 114.24 12.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.464 ' CG2' HD11 ' A' ' 78' ' ' LEU . 82.9 t -93.78 134.76 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 77' ' ' SER . 1.0 OUTLIER -134.69 146.12 49.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.48 60.38 3.03 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.118 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.442 HD12 ' CD1' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -129.48 125.99 22.64 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.287 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.13 40.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -38.1 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.474 1.776 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.46 -38.74 6.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.9 t -77.74 121.03 83.63 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.435 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.4 Cg_endo -75.01 157.72 42.57 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.534 1.807 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.577 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -60.18 -35.73 76.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -43.6 -55.14 4.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.469 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -63.07 -48.56 78.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.578 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -40.06 -47.02 2.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.432 ' C ' ' N ' ' A' ' 28' ' ' TYR . 25.7 p -79.42 -53.55 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.508 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -39.82 -31.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.432 ' N ' ' C ' ' A' ' 26' ' ' THR . 27.2 t80 -81.55 -61.69 1.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.578 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 22.9 m-85 -55.59 -43.92 76.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -59.67 -44.1 93.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.72 135.09 54.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -75.18 -62.95 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -42.23 -51.06 4.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -50.08 -68.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.254 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 p -109.06 -68.99 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.31 79.24 0.81 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.46 ' HA3' ' CG2' ' A' ' 63' ' ' VAL . . . -143.05 -85.19 0.08 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 165.81 -157.28 29.68 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.447 ' HG2' ' CD ' ' A' ' 55' ' ' ARG . 18.2 Cg_endo -75.02 141.73 26.93 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.2 t -96.78 120.64 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -56.82 17.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.33 179.34 8.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.577 ' CD1' ' HB3' ' A' ' 22' ' ' ASP . 13.4 t-105 -149.77 141.95 24.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.024 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -134.96 97.28 3.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.53 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 28.1 ttp85 -74.57 122.8 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.9 mt -110.79 -171.57 1.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -37.74 -90.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 m -104.67 69.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 134.23 -122.98 3.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.567 1.167 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 140.25 162.91 9.3 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.6 t -92.33 127.29 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.445 HD23 ' CE1' ' A' ' 54' ' ' PHE . 1.7 tt -109.91 147.63 33.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.7 m -115.65 133.07 56.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.379 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 16.1 m-85 -107.78 127.12 53.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.447 ' CD ' ' HG2' ' A' ' 39' ' ' PRO . 31.5 ttt-85 -38.2 -60.84 0.73 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.23 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -103.62 160.67 25.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.414 ' CA ' HG22 ' A' ' 9' ' ' VAL . 18.1 Cg_endo -75.05 -46.63 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.07 99.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -55.68 -40.46 72.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.564 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . . . -68.73 -50.46 50.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -56.44 -48.13 77.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.288 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -48.18 -24.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.46 ' CG2' ' HA3' ' A' ' 37' ' ' GLY . 21.5 t -90.04 -46.7 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 66' ' ' GLN . 10.8 mt -56.6 -40.59 75.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.14 -30.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.452 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 2.6 tt0 -89.35 114.37 25.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.88 2.46 20.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -126.92 147.69 50.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.558 ' CD2' HD22 ' A' ' 78' ' ' LEU . 65.3 m-70 -150.92 129.42 12.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.643 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -119.51 126.82 52.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.466 ' CD2' HD11 ' A' ' 25' ' ' LEU . 18.4 tp -147.44 95.62 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 60.9 63.26 1.31 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 109.621 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 46.92 82.52 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 175.83 131.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 109.264 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -88.85 97.86 11.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.31 127.49 32.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' ARG . 5.9 m -92.92 99.7 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.561 HD12 ' CZ ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -86.41 140.44 30.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -152.52 158.93 33.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 113.79 3.87 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.84 170.67 5.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.534 1.807 . . . . 0.0 111.027 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.465 HG22 ' CA ' ' A' ' 57' ' ' PRO . 3.4 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.74 142.53 43.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.7 t -126.8 121.21 57.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -73.86 109.86 7.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.47 ' CG2' HD11 ' A' ' 78' ' ' LEU . 74.3 t -90.64 130.39 39.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.0 146.12 52.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.76 65.0 2.22 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.467 ' CD2' HD12 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -133.62 124.62 18.04 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.467 0.745 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.64 36.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.522 1.801 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -37.17 2.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.18 -30.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.8 t -87.61 122.41 70.5 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.463 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.2 Cg_endo -75.04 159.67 40.94 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.556 1.819 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -62.11 -34.8 77.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -44.57 -51.85 8.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.464 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -67.8 -48.19 66.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -39.45 -44.52 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.428 ' C ' ' N ' ' A' ' 28' ' ' TYR . 20.3 p -80.85 -53.62 6.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.453 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.508 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -39.87 -31.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.428 ' N ' ' C ' ' A' ' 26' ' ' THR . 31.2 t80 -82.1 -60.24 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.562 ' CZ ' HD12 ' A' ' 78' ' ' LEU . 19.5 m-85 -58.82 -52.68 64.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -45.89 -53.06 10.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -62.04 146.82 49.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -88.19 -49.33 7.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -50.26 59.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -54.7 -63.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.9 p -104.1 -70.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 117.61 84.01 0.98 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.43 ' HA3' ' CG2' ' A' ' 63' ' ' VAL . . . -161.45 -83.85 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.91 -156.92 26.64 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 160.42 40.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.792 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.3 t -109.45 127.54 66.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -52.29 41.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.5 t -154.85 177.57 11.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.974 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.516 ' CZ2' HD23 ' A' ' 25' ' ' LEU . 12.2 t-105 -150.99 136.17 17.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 107.975 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -130.77 112.94 13.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 ttp85 -89.71 113.42 24.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -109.52 45.25 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.12 133.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.452 1.095 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.7 m 43.17 53.4 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 120.81 -147.64 17.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.149 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 145.01 175.87 18.53 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.5 t -96.27 125.35 49.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.532 0.784 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.538 HD22 ' CE1' ' A' ' 54' ' ' PHE . 2.1 tt -109.54 149.17 30.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.3 m -119.07 125.6 49.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.538 ' CE1' HD22 ' A' ' 52' ' ' LEU . 19.0 m-85 -100.69 134.62 43.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -41.7 -63.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -104.5 161.16 23.67 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.465 ' CA ' HG22 ' A' ' 9' ' ' VAL . 18.4 Cg_endo -75.03 -46.84 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.63 -45.72 92.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -57.77 -33.93 69.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.463 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . . . -76.66 -45.88 27.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -63.86 -37.55 87.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -19.11 41.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.3 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.43 ' CG2' ' HA3' ' A' ' 37' ' ' GLY . 25.7 t -94.46 -43.62 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.434 ' C ' ' N ' ' A' ' 66' ' ' GLN . 8.8 mt -57.15 -41.09 78.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.99 -29.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.45 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 3.1 tt0 -90.28 113.84 25.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.29 1.99 19.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.586 ' O ' ' CD2' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -123.67 153.81 40.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.586 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 65.2 m-70 -157.96 127.47 5.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.607 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -115.76 123.92 49.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 25' ' ' LEU . 20.0 tp -144.85 97.17 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.42 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER 61.61 54.39 3.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.649 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 54.19 74.91 0.26 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.108 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.82 132.02 0.43 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 0.75 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -89.84 95.57 10.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.02 136.08 38.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.1 m -98.34 96.58 8.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.57 HD21 ' CD2' ' A' ' 69' ' ' HIS . 0.5 OUTLIER -86.78 135.43 33.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -152.76 162.72 25.68 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.257 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.51 6.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.06 170.81 5.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.429 HG21 ' CA ' ' A' ' 57' ' ' PRO . 21.3 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.69 147.53 46.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.8 t -130.5 120.27 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -73.93 116.88 15.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.3 t -97.95 137.74 24.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.59 145.29 51.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.38 67.66 1.85 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.491 HD11 ' CD1' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -132.04 123.53 18.99 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 144.3 30.2 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -23.18 13.97 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.91 -20.38 8.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.1 t -98.98 124.21 46.34 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 178.36 7.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.523 1.801 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.3 OUTLIER -75.35 -43.14 52.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 22' ' ' ASP . 7.6 tt0 -37.79 -54.11 1.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -67.33 -53.77 26.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.574 HD21 ' CZ2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -38.79 -38.5 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 30' ' ' GLU . 68.3 p -86.11 -50.17 7.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.501 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -42.99 -29.46 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -82.9 -63.09 1.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 23.0 m-85 -59.42 -13.84 10.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 26' ' ' THR . 19.8 mt-10 -89.64 -43.03 11.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.78 135.15 57.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.7 ptt-85 -86.27 -26.6 24.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.355 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -78.2 -42.0 32.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.34 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -64.27 -49.92 69.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.3 p -113.48 -76.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.023 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.26 49.07 0.2 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.45 -109.45 2.11 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.96 -155.14 9.16 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 151.42 39.52 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 t -104.35 119.71 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -53.49 57.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 43' ' ' TRP . 7.7 t -155.41 178.58 10.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.946 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.574 ' CZ2' HD21 ' A' ' 25' ' ' LEU . 9.3 t-105 -151.08 141.07 22.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.027 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -136.11 97.46 3.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.368 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.5 ' HB2' ' CZ2' ' A' ' 43' ' ' TRP . 17.4 ttm-85 -77.64 121.72 24.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' CYS . 20.8 mt -117.92 118.24 31.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.68 -88.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 46' ' ' LEU . 5.4 p -113.46 -49.63 2.89 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.54 -122.58 0.87 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.96 151.31 7.01 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -87.51 126.83 41.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.402 HD13 ' CD2' ' A' ' 29' ' ' PHE . 2.5 tt -109.46 149.0 30.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.4 m -118.27 132.2 56.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.4 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.526 ' CE2' HG23 ' A' ' 63' ' ' VAL . 17.4 m-85 -108.4 131.13 55.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.0 ttt-85 -40.3 -62.3 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.262 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -104.55 162.01 21.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.429 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.1 Cg_endo -75.06 -47.25 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.65 -41.81 98.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -59.44 -24.95 63.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.467 ' HB1' ' CG ' ' A' ' 54' ' ' PHE . . . -83.91 -50.6 7.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -57.28 -35.38 69.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -20.05 63.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.302 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.526 HG23 ' CE2' ' A' ' 54' ' ' PHE . 19.9 t -94.0 -42.8 13.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 66' ' ' GLN . 9.7 mt -61.94 -40.07 94.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.53 -30.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' LEU . 10.6 tt0 -92.79 112.28 24.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.09 0.99 19.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.417 ' O ' ' CD2' ' A' ' 69' ' ' HIS . 10.5 t70 -118.83 145.19 45.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.554 ' CD2' HD21 ' A' ' 78' ' ' LEU . 92.1 m-70 -156.88 122.27 4.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.613 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -121.71 120.13 33.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -144.37 101.34 3.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.533 ' CD2' ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER 69.54 62.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.573 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 39.74 85.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 171.53 126.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.748 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -84.45 92.81 8.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.443 HD11 ' N ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -71.08 147.42 48.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 m -109.27 99.42 8.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.016 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.554 HD21 ' CD2' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -86.66 138.6 31.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 12' ' ' GLU . 58.2 mtt-85 -152.49 158.15 33.44 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 119.5 5.66 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.496 1.787 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.25 168.63 10.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.504 1.792 . . . . 0.0 110.971 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.471 HG11 ' CB ' ' A' ' 60' ' ' ALA . 9.4 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.47 144.4 44.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.244 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.2 t -130.41 128.97 64.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -86.51 107.52 18.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.451 ' CG2' HD11 ' A' ' 78' ' ' LEU . 65.5 t -88.51 149.53 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.411 ' HB2' ' CB ' ' A' ' 77' ' ' SER . 13.7 mmt180 -132.45 169.94 15.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 49.97 69.63 1.01 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.463 ' CD1' HD13 ' A' ' 25' ' ' LEU . 12.6 tp -124.73 114.37 26.88 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 154.67 42.72 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -37.33 2.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.78 -44.59 19.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.6 t -78.07 120.8 82.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.092 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.456 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.3 Cg_endo -75.0 156.11 42.96 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.502 1.79 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.572 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 0.1 OUTLIER -59.42 -33.41 71.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -45.73 -54.39 7.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.465 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -64.21 -52.08 60.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.521 ' CD2' ' CZ2' ' A' ' 43' ' ' TRP . 3.0 tp -39.85 -44.2 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 30' ' ' GLU . 16.4 p -80.18 -43.76 20.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.499 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -52.46 -36.64 55.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.56 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 32.4 t80 -73.61 -53.62 10.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CZ ' HD12 ' A' ' 78' ' ' LEU . 13.4 m-85 -62.93 -26.29 68.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 26' ' ' THR . 12.8 mt-10 -77.59 -44.73 27.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.425 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -65.39 146.24 55.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -80.51 -62.2 1.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.348 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.54 -50.33 7.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.56 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 9.4 mmm180 -48.32 -67.36 0.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 110.276 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.85 -73.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.993 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 119.24 75.53 0.47 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.54 -83.35 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 172.03 -160.08 31.54 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.415 ' HG2' ' CD ' ' A' ' 55' ' ' ARG . 18.4 Cg_endo -74.97 158.4 42.34 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.7 t -106.74 125.9 62.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -50.74 34.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.9 t -148.61 177.89 9.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.584 ' CE3' HD11 ' A' ' 52' ' ' LEU . 16.4 t-105 -151.04 137.94 19.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 107.984 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -134.53 102.07 5.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.21 117.53 17.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.7 mt -115.31 -170.41 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.78 109.56 2.61 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.5 t 49.76 71.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 136.97 -127.85 4.19 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.35 149.32 6.08 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.4 t -86.52 124.47 40.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 0.774 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.584 HD11 ' CE3' ' A' ' 43' ' ' TRP . 1.5 tt -109.78 142.98 40.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.5 m -108.14 120.36 42.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.555 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 13.9 m-85 -93.8 128.12 39.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.415 ' CD ' ' HG2' ' A' ' 39' ' ' PRO . 31.3 ttt180 -38.38 -60.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -106.77 161.91 21.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.443 ' CA ' HG22 ' A' ' 9' ' ' VAL . 18.3 Cg_endo -75.01 -47.29 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.53 96.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -56.67 -36.49 69.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.555 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . . . -77.31 -49.2 15.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -48.97 -51.03 32.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.7 ttt85 -46.15 -48.26 17.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.554 HG23 ' CE2' ' A' ' 54' ' ' PHE . 23.5 t -60.17 -39.3 80.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.441 ' C ' ' N ' ' A' ' 66' ' ' GLN . 16.0 mt -65.87 -46.01 79.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.84 -30.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.441 ' N ' ' C ' ' A' ' 64' ' ' LEU . 1.9 tt0 -99.56 110.29 22.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.37 1.88 20.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.588 ' O ' ' CD2' ' A' ' 69' ' ' HIS . 11.2 t70 -118.77 140.85 49.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 92.1 m-70 -161.77 135.17 6.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 109.596 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 71' ' ' LEU . 1.8 tt0 -129.57 139.34 51.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 25' ' ' LEU . 3.8 tp -147.74 104.76 3.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 51.43 70.81 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.602 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 46.09 88.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 171.2 143.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -102.73 96.52 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.424 ' N ' HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -78.27 137.55 38.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.411 ' CB ' ' HB2' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -108.76 107.17 17.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.001 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.572 HD12 ' CZ ' ' A' ' 29' ' ' PHE . 1.5 mm? -88.19 134.11 33.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -152.64 162.98 24.98 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 118.02 5.11 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.99 165.43 26.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.121 0 O-C-N 124.556 1.819 . . . . 0.0 111.041 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.436 HG21 ' CA ' ' A' ' 57' ' ' PRO . 4.2 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.67 145.29 44.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 84.8 t -128.91 120.11 51.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 79' ' ' ARG . 67.0 tt0 -74.43 108.77 7.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.473 ' CG2' HD12 ' A' ' 78' ' ' LEU . 98.6 t -89.73 132.5 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 77' ' ' SER . 1.0 OUTLIER -131.9 146.99 52.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.414 ' N ' ' HG3' ' A' ' 14' ' ' ARG . . . 73.95 69.99 1.31 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.469 HD13 ' CD1' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -134.59 126.1 17.93 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 151.59 39.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.565 1.824 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -43.53 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.461 1.769 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.26 -30.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.4 t -88.16 122.19 70.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.477 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.2 Cg_endo -75.01 -178.3 4.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' GLU . 28.7 m-20 -78.53 -46.32 19.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.483 ' CG ' HD21 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -35.16 -49.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -68.32 -52.8 29.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.575 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -39.87 -39.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.5 p -84.45 -50.8 7.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.379 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.507 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -41.85 -39.32 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.492 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -72.17 -69.66 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 17.9 m-85 -47.28 -42.13 20.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -67.65 -44.29 78.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -59.68 134.47 57.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.6 1.188 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -80.23 -48.36 13.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -35.45 15.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -96.2 -30.35 13.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.61 86.87 1.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.77 64.89 0.31 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.08 -66.83 0.37 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.81 -164.46 34.18 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 178.03 7.81 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.6 t -122.02 120.9 62.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.433 ' CD1' ' HA ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -64.69 -48.16 75.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.6 t -158.55 174.85 14.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.981 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.553 ' CZ2' HD22 ' A' ' 25' ' ' LEU . 10.8 t-105 -147.41 135.23 21.16 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -128.51 111.74 13.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -91.18 113.39 25.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -109.78 42.56 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.82 132.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.5 m 43.22 55.25 4.73 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.65 -142.81 14.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 137.63 177.56 15.25 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.2 t -100.83 128.28 53.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.792 . . . . 0.0 109.252 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.0 tt -110.92 150.53 29.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.5 m -118.68 126.45 51.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.417 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.533 ' CE2' HG22 ' A' ' 63' ' ' VAL . 16.7 m-85 -100.53 136.51 40.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.433 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 32.7 ttt180 -45.34 -60.11 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -107.9 161.17 24.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.436 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.4 Cg_endo -74.98 -46.71 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.556 1.819 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.84 97.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.65 -23.55 64.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.89 -37.65 18.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.22 -38.48 88.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.32 -18.0 34.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.533 HG22 ' CE2' ' A' ' 54' ' ' PHE . 16.4 t -93.0 -49.3 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.44 ' C ' ' N ' ' A' ' 66' ' ' GLN . 10.5 mt -57.53 -39.63 77.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.56 -30.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.459 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 5.0 tt0 -91.56 115.85 28.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.6 3.46 21.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -129.92 150.16 51.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.242 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.573 ' CD2' HD22 ' A' ' 78' ' ' LEU . 53.0 m-70 -153.06 140.21 19.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.568 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -128.08 123.52 34.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.463 ' CD2' HD13 ' A' ' 25' ' ' LEU . 18.7 tp -144.05 106.33 4.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.236 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.455 ' CD2' ' CD1' ' A' ' 24' ' ' LEU . 0.4 OUTLIER 54.71 60.53 3.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.614 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.444 ' O ' ' CB ' ' A' ' 74' ' ' ALA . . . 47.69 90.54 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . 167.02 143.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.408 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 1.8 pt20 -95.09 107.67 19.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.36 122.07 32.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 14' ' ' ARG . 7.3 m -90.1 101.93 14.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.573 HD22 ' CD2' ' A' ' 69' ' ' HIS . 0.5 OUTLIER -86.69 137.26 32.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 12' ' ' GLU . 16.2 mmt85 -148.24 158.83 40.77 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 112.82 3.65 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.58 170.57 5.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.475 ' CG2' ' HB3' ' A' ' 57' ' ' PRO . 2.2 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.46 145.58 47.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.0 t -131.07 129.94 63.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 79' ' ' ARG . 40.9 tt0 -87.74 106.4 18.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.457 ' CG2' HD11 ' A' ' 78' ' ' LEU . 78.8 t -91.56 145.83 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.551 ' HG2' ' CB ' ' A' ' 77' ' ' SER . 1.4 ptm180 -134.82 154.6 51.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.352 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.493 ' O ' ' CD1' ' A' ' 76' ' ' LEU . . . 59.13 72.31 0.63 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.469 ' CD2' HD11 ' A' ' 25' ' ' LEU . 3.6 tp -129.39 116.6 18.61 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 151.2 39.09 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -37.65 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.797 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.32 -34.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.2 t -84.3 120.76 74.9 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.408 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.4 Cg_endo -74.99 149.24 36.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.472 1.775 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -53.01 -34.37 56.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -45.01 -54.83 6.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.468 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -65.21 -51.36 61.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.553 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -40.07 -41.03 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.9 p -84.08 -47.32 11.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.365 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.507 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.41 -36.17 21.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.461 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 28.5 t80 -75.08 -58.38 3.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.56 ' CZ ' HD12 ' A' ' 78' ' ' LEU . 10.2 m-85 -57.49 -29.94 64.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -75.58 -38.04 59.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.436 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -65.28 146.26 55.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.46 -53.52 5.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 33' ' ' ARG . 12.3 mtp-105 -56.44 -45.72 80.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.249 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 2.5 mmp_? -51.19 -63.37 1.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 p -118.02 -64.87 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.21 54.01 0.14 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.3 -149.46 7.97 Favored Glycine 0 CA--C 1.529 0.933 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.66 -147.75 4.92 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.96 6.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.5 t -81.71 139.42 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.33 -56.6 4.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.69 179.22 8.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.553 ' CE3' HD11 ' A' ' 52' ' ' LEU . 10.3 t-105 -149.5 133.82 17.4 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.22 97.43 5.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.546 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 5.1 ttp85 -76.31 124.75 28.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.2 mt -121.73 -168.94 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.246 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.97 111.63 4.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.437 1.086 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t 47.79 60.79 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 147.01 -136.73 6.28 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 132.87 153.04 7.11 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 20.6 t -90.37 130.53 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.562 HD23 ' CE1' ' A' ' 54' ' ' PHE . 1.5 tt -110.88 154.27 24.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.9 m -117.35 123.14 45.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.401 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.562 ' CE1' HD23 ' A' ' 52' ' ' LEU . 13.1 m-85 -102.95 108.8 20.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 54' ' ' PHE . 61.4 ttt180 -38.51 -42.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.24 130.58 24.14 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.475 ' HB3' ' CG2' ' A' ' 9' ' ' VAL . 18.5 Cg_endo -74.94 -34.5 3.85 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.23 98.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -72.3 -34.48 68.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.483 ' HB2' ' CG ' ' A' ' 54' ' ' PHE . . . -64.34 -43.39 94.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -52.5 -52.72 53.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.73 -25.66 19.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.456 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 17.4 t -82.74 -39.9 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.423 ' C ' ' N ' ' A' ' 66' ' ' GLN . 12.1 mt -70.84 -40.86 72.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -38.7 -33.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.423 ' N ' ' C ' ' A' ' 64' ' ' LEU . 4.4 tt0 -98.12 111.89 24.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.81 0.31 21.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.588 ' O ' ' CD2' ' A' ' 69' ' ' HIS . 2.8 t70 -121.34 141.89 50.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 79.5 m-70 -157.86 129.68 6.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.623 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.94 132.34 56.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.411 ' CD2' ' HA ' ' A' ' 25' ' ' LEU . 4.6 tp -148.49 103.76 3.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.46 ' CD2' HD12 ' A' ' 24' ' ' LEU . 0.8 OUTLIER 60.76 71.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.6 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 38.65 85.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 174.23 146.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.288 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -100.47 97.95 8.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -88.92 124.73 34.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.551 ' CB ' ' HG2' ' A' ' 14' ' ' ARG . 0.5 OUTLIER -99.79 107.08 19.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.567 HD22 ' CD2' ' A' ' 69' ' ' HIS . 1.9 mm? -86.57 132.43 33.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 12' ' ' GLU . 4.0 mmp_? -147.75 159.49 40.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 114.9 4.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.405 ' CB ' ' HB2' ' A' ' 12' ' ' GLU . . . -67.08 168.91 9.54 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.532 1.806 . . . . 0.0 110.997 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 p -124.69 151.93 44.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.76 . . . . 0.0 109.992 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 p -165.75 122.32 1.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.962 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.49 -159.67 16.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.7 m -82.98 149.09 27.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 0.0 110.01 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.1 155.13 36.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.962 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.53 155.1 2.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.69 -123.81 3.09 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.473 HG13 ' CB ' ' A' ' 60' ' ' ALA . 28.6 t -117.34 121.63 68.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.56 144.2 51.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.6 t -127.67 125.67 65.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.411 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 6.3 tm-20 -74.31 121.26 21.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.473 ' CG2' HD13 ' A' ' 78' ' ' LEU . 81.9 t -101.95 133.54 45.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.21 146.91 51.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.78 69.42 1.39 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.474 ' CD1' ' CD1' ' A' ' 25' ' ' LEU . 1.2 tp -133.36 121.74 16.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 147.69 34.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -26.74 10.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.777 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.38 -20.12 11.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.242 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.8 t -100.4 123.14 47.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 155.35 42.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.502 1.79 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.584 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -58.36 -36.3 73.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -42.97 -54.13 4.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 110.308 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.553 HD11 ' CD2' ' A' ' 72' ' ' HIS . 0.3 OUTLIER -65.69 -47.49 75.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.559 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -42.12 -46.65 4.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.7 p -77.09 -49.47 15.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.389 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.515 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -45.25 -45.2 11.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -62.4 -62.61 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.561 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 23.3 m-85 -54.32 -40.81 68.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -65.22 -29.31 70.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.68 120.53 16.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.12 -14.86 58.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -82.97 -42.53 17.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.47 -40.63 57.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.03 -74.86 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.042 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.09 39.54 0.48 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.44 ' CA ' ' OD1' ' A' ' 59' ' ' ASP . . . -106.77 -120.71 4.65 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.28 -145.24 4.48 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 143.13 28.79 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.8 t -102.51 130.65 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.45 -58.51 6.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.4 t -153.67 178.6 9.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.584 ' CD1' ' HB3' ' A' ' 22' ' ' ASP . 7.7 t-105 -150.55 136.6 18.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 107.987 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -125.49 97.69 5.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.566 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 38.9 ttp85 -75.71 128.22 34.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.9 mt -116.66 -169.28 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.59 -92.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.5 m -101.66 62.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 142.27 -129.94 4.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.57 157.86 7.31 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 20.2 t -86.97 127.62 40.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.479 HD11 ' CE3' ' A' ' 43' ' ' TRP . 1.6 tt -109.91 150.58 28.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 84.9 m -119.75 130.13 54.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.381 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.582 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 10.7 m-85 -103.91 121.29 42.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.6 ttt85 -38.6 -56.85 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.34 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -98.22 150.68 36.98 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.078 . . . . 0.0 110.283 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HB3' ' CG2' ' A' ' 9' ' ' VAL . 18.4 Cg_endo -75.05 -51.0 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.786 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.19 81.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.44 ' OD1' ' CA ' ' A' ' 37' ' ' GLY . 1.0 OUTLIER -53.79 -44.82 70.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.582 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . . . -57.14 -37.87 72.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -75.65 -35.56 60.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -25.4 36.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.476 HG23 ' CE2' ' A' ' 54' ' ' PHE . 18.2 t -87.76 -51.05 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 65' ' ' ALA . 11.3 mt -52.44 -37.78 57.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.32 -40.15 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.596 ' O ' ' CE1' ' A' ' 69' ' ' HIS . 2.3 tt0 -83.64 120.33 25.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.18 4.15 21.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -124.7 139.13 54.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 66' ' ' GLN . 20.5 m-70 -148.26 124.78 11.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.62 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.55 134.61 52.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.472 ' CD2' HD12 ' A' ' 25' ' ' LEU . 1.7 tp -152.94 109.21 3.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.553 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER 57.06 68.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.592 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 72' ' ' HIS . . . 37.85 87.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 172.55 149.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 0.793 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -101.15 106.46 17.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.5 ' N ' ' CD2' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -93.58 125.78 38.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.3 m -97.61 100.16 11.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.567 HD22 ' CD2' ' A' ' 69' ' ' HIS . 0.4 OUTLIER -86.64 145.3 26.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -152.86 163.23 24.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 115.17 4.21 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.411 ' HB2' ' N ' ' A' ' 12' ' ' GLU . . . -67.42 153.84 94.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 167.95 25.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.0 40.17 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.0 ttm-85 177.82 124.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -149.11 154.94 39.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 132.46 15.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 175.47 124.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 0.0 109.347 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -129.16 69.35 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.22 172.62 12.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.2 tt -155.66 78.64 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.2 mt -94.6 107.28 19.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.54 115.42 15.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 121.96 173.9 14.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.54 159.05 52.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 167.12 27.71 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -176.91 3.12 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 156.79 101.07 0.18 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 39.4 p -135.58 175.14 9.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.52 165.01 5.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -169.85 159.94 32.77 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.569 1.168 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 179.47 6.06 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.3 m -118.58 170.12 9.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.8 t -146.25 168.56 20.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -136.78 110.02 7.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.8 p -118.72 128.83 54.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.62 -167.43 25.56 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.1 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t 56.2 81.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -136.49 99.61 4.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.64 123.99 0.56 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.72 142.39 0.81 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.475 HG22 ' CB ' ' A' ' 57' ' ' PRO . 2.3 t -134.58 136.37 52.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 0.757 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.22 150.63 49.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.5 t -141.31 118.24 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -73.6 113.37 10.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.471 ' CG2' HD11 ' A' ' 78' ' ' LEU . 81.8 t -95.47 133.5 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.3 OUTLIER -133.78 147.02 51.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.95 67.4 1.74 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.468 HD11 ' CD1' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -134.1 127.64 19.18 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 150.3 37.82 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.439 1.757 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -43.31 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.53 -39.13 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.8 t -77.21 124.41 87.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.499 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.1 Cg_endo -75.03 -177.99 3.86 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 23' ' ' GLU . 4.2 p-10 -80.48 -42.93 21.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 22' ' ' ASP . 1.3 pm0 -37.46 -50.06 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.499 ' CD1' ' HD2' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -67.09 -52.77 37.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.571 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -39.68 -37.68 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.0 p -87.06 -49.12 7.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.363 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -45.93 -30.41 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -83.08 -64.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.571 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 12.2 m-85 -51.81 -38.03 54.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -66.62 -46.32 76.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.34 138.09 56.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -88.02 -35.4 17.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.26 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.3 mtm-85 -70.61 -42.9 70.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -63.5 -43.41 97.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 t -124.44 -78.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.77 50.91 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.34 -149.17 7.11 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.24 -154.05 7.54 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 131.82 14.72 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 37.8 t -83.57 126.74 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.46 -56.0 17.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.85 179.61 8.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.976 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.498 ' CZ2' HD22 ' A' ' 25' ' ' LEU . 10.1 t-105 -147.19 128.89 15.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 108.044 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -120.46 100.59 7.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ttp85 -83.69 113.47 20.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 30.2 mt -88.02 -97.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.36 -90.77 1.61 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 63.0 m -91.08 44.59 1.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 151.71 -111.87 0.51 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.55 170.88 12.79 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.5 t -97.22 129.58 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.458 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.8 tt -109.68 153.37 24.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 55.9 m -117.42 123.18 45.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.498 ' CG ' ' HB3' ' A' ' 60' ' ' ALA . 16.3 m-85 -101.84 113.15 26.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' PHE . 54.2 ttt-85 -38.82 -49.98 1.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.07 132.01 21.35 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.475 ' CB ' HG22 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.08 -34.57 3.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.565 1.824 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.58 -44.75 96.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.66 -34.98 72.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.498 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . . . -63.81 -36.29 83.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -65.88 -51.77 55.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -22.98 5.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.252 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.5 t -85.74 -44.63 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 66' ' ' GLN . 11.6 mt -62.51 -42.18 99.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -38.99 -30.88 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.449 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 1.3 tt0 -93.02 114.53 27.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.86 2.2 20.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -121.5 142.49 50.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.573 ' CD2' HD22 ' A' ' 78' ' ' LEU . 64.5 m-70 -148.11 127.01 12.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.645 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.02 130.36 55.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.445 ' CD2' ' HA ' ' A' ' 25' ' ' LEU . 42.8 tp -150.24 95.66 2.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.402 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.6 OUTLIER 58.12 60.03 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.579 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 52.54 82.33 0.04 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.52 1.137 . . . . 0.0 111.027 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 175.76 140.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 0.788 . . . . 0.0 109.251 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -98.37 95.72 7.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.442 ' CD2' ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -77.59 124.83 28.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' ARG . 7.0 m -89.22 101.83 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.573 HD22 ' CD2' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -86.71 141.32 28.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 12' ' ' GLU . 80.3 mtt180 -152.63 158.01 33.34 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 119.72 5.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.79 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.18 154.26 93.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 113.53 3.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.567 1.825 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 55.57 4.01 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 174.57 108.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -172.37 154.67 3.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 134.37 17.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.532 1.806 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -105.92 85.14 2.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -138.17 109.83 7.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.7 157.68 45.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 91' ' ' LEU . 5.5 mt -122.33 141.12 51.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -40.26 132.22 2.0 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -105.07 140.04 38.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 110.342 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 160.12 90.86 0.08 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -104.53 154.8 38.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 172.99 15.28 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.776 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.6 5.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.502 1.79 . . . . 0.0 111.054 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -91.91 157.43 24.33 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.434 1.084 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.8 m -118.27 144.36 45.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 110.366 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.7 m -39.44 144.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 167.71 97.49 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.113 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 169.23 23.08 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.428 1.752 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 t -119.75 164.91 15.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.133 . . . . 0.0 109.979 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.5 m -153.19 168.85 24.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 t -174.23 132.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.59 -57.96 1.95 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.17 -170.27 13.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 p -140.0 159.48 42.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.76 . . . . 0.0 110.034 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 t -166.99 129.14 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.72 137.97 17.5 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.475 1.109 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.81 -175.73 22.25 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.474 HG21 ' CB ' ' A' ' 57' ' ' PRO . 2.1 t -141.06 142.81 29.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.253 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.13 150.13 52.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.0 t -141.26 116.65 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.91 115.59 15.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.344 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.414 ' CG2' HD13 ' A' ' 78' ' ' LEU . 71.6 t -95.74 143.09 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.94 149.22 52.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.3 66.93 2.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.461 ' CD2' HD11 ' A' ' 25' ' ' LEU . 3.6 tp -128.21 117.4 20.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 147.72 34.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.426 ' C ' ' N ' ' A' ' 20' ' ' VAL . 18.2 Cg_endo -74.98 -37.15 2.16 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.462 1.77 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.37 -28.48 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' A' ' 18' ' ' PRO . 21.5 t -87.57 123.61 69.16 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 153.48 42.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -57.36 -32.76 67.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -46.09 -54.67 8.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.536 HD13 ' CD2' ' A' ' 72' ' ' HIS . 0.4 OUTLIER -65.24 -49.6 69.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.461 HD11 ' CD2' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -40.05 -44.59 1.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.6 p -80.78 -51.75 8.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.463 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.507 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -43.06 -33.13 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.445 ' OH ' ' ND1' ' A' ' 69' ' ' HIS . 46.5 t80 -79.32 -67.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.507 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 13.6 m-85 -49.75 -30.97 10.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 111.044 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -71.83 -45.92 59.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.341 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -64.33 143.38 57.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -30.49 17.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -74.41 -32.24 62.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.348 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -74.14 -39.11 63.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.321 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.99 -66.45 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 110.037 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.86 52.11 0.21 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.75 -140.42 5.6 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.02 -151.67 5.53 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 133.44 16.57 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.53 1.805 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.462 HG13 ' CD2' ' A' ' 52' ' ' LEU . 45.5 t -90.13 128.19 42.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.54 -55.78 12.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.87 179.28 9.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.401 ' CE2' ' CD2' ' A' ' 25' ' ' LEU . 7.4 t-105 -145.47 111.04 5.4 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -98.61 102.06 13.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.88 122.59 28.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -126.41 91.69 3.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.02 -117.28 8.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.57 1.169 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.5 m -50.71 -79.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -102.92 -106.47 3.05 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.98 177.26 17.8 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.6 t -96.06 130.67 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.538 HD22 ' CE1' ' A' ' 54' ' ' PHE . 1.2 tt -109.36 153.49 23.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.1 m -117.88 126.69 52.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.421 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.538 ' CE1' HD22 ' A' ' 52' ' ' LEU . 26.0 m-85 -106.83 113.73 27.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 54' ' ' PHE . 51.5 ttt180 -38.2 -54.55 1.38 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.97 130.32 23.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.474 ' CB ' HG21 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.01 -33.66 4.4 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.544 1.813 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.13 -46.62 89.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -40.09 77.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.435 ' HB2' ' CG ' ' A' ' 54' ' ' PHE . . . -57.35 -40.86 78.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -52.56 -51.59 58.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -32.98 50.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 38.7 t -74.95 -34.23 32.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.429 ' C ' ' N ' ' A' ' 66' ' ' GLN . 13.1 mt -75.36 -47.32 28.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -39.25 -31.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.429 ' N ' ' C ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -97.32 104.99 17.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.31 0.68 18.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -116.98 135.74 53.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.248 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.546 ' CD2' HD22 ' A' ' 78' ' ' LEU . 72.1 m-70 -151.15 144.05 24.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.567 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -128.21 130.3 47.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.448 ' CD2' ' HA ' ' A' ' 25' ' ' LEU . 13.8 tp -149.5 99.38 2.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.232 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.536 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.5 OUTLIER 59.49 68.59 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.621 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 40.89 87.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 171.58 146.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 0.794 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -99.42 107.88 20.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.415 ' N ' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -94.23 116.93 29.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.8 112.99 23.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.546 HD22 ' CD2' ' A' ' 69' ' ' HIS . 1.5 mm? -94.14 137.66 33.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -152.65 160.72 30.76 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 117.38 4.88 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.12 155.83 89.46 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 113.44 3.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 149.95 37.41 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.508 1.794 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 173.09 -58.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -178.12 150.3 0.73 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 155.84 42.96 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.441 1.758 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -101.08 135.52 42.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.578 1.174 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.15 148.94 24.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.407 HD23 ' N ' ' A' ' 89' ' ' LEU . 4.0 mm? -59.4 108.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 91' ' ' LEU . 0.9 OUTLIER -133.03 122.24 23.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -40.29 154.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -133.74 99.79 4.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.84 134.41 12.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -88.08 160.99 45.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 171.23 18.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.46 1.769 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 168.28 25.18 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.508 1.794 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -87.87 -143.65 8.79 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.3 m -156.2 140.88 16.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 0.711 . . . . 0.0 110.413 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.19 143.4 3.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 160.11 163.89 14.33 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 179.78 5.76 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.7 p -157.62 148.02 20.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 59.4 p -150.75 157.84 43.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.04 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.01 -58.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 109.987 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.55 149.62 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.033 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.2 -169.55 18.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 t -145.79 119.5 9.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 0.743 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.89 147.73 10.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.13 -115.45 2.75 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -121.97 -138.89 5.49 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.446 HG13 ' CB ' ' A' ' 60' ' ' ALA . 22.1 t -120.89 118.65 57.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 0.734 . . . . 0.0 109.276 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.82 148.44 50.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 88.1 t -131.38 119.07 42.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.433 ' HB2' ' HA ' ' A' ' 81' ' ' ALA . 18.2 tt0 -75.53 111.43 10.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.463 ' CG2' HD12 ' A' ' 78' ' ' LEU . 75.5 t -94.37 134.42 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -134.2 146.49 50.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.74 67.54 1.72 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.474 ' CD2' HD11 ' A' ' 25' ' ' LEU . 0.7 OUTLIER -133.01 125.03 18.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 147.52 34.28 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -29.36 8.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.4 -26.68 13.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.3 t -91.83 122.47 65.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.327 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.453 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.2 Cg_endo -75.0 162.29 37.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -63.26 -39.54 94.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -40.4 -52.78 2.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -66.93 -49.17 66.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.543 ' CD2' ' CE2' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -40.15 -43.94 1.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 49.5 p -81.04 -52.22 7.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.417 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.498 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -42.03 -33.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -79.66 -63.37 1.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.471 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 15.1 m-85 -53.98 -49.54 68.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -50.44 -51.61 45.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.239 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.449 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 3.9 t-20 -56.35 144.79 29.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.25 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -83.1 -57.93 3.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -47.47 -47.38 27.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.449 ' CG ' ' HB3' ' A' ' 31' ' ' ASN . 18.0 mmm180 -53.21 -63.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.7 p -116.61 -68.11 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 130.01 59.48 0.1 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.14 -148.76 6.49 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.71 -149.45 5.36 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 97.02 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.553 1.818 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.2 t -50.24 122.86 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -56.83 16.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.0 179.04 9.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.543 ' CE2' ' CD2' ' A' ' 25' ' ' LEU . 8.0 t-105 -151.21 111.66 4.18 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -99.86 97.25 8.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.502 ' HG3' ' CZ2' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -73.57 131.46 41.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.473 ' CG ' ' HA2' ' A' ' 50' ' ' GLY . 81.0 mt -113.9 -169.54 1.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 46' ' ' LEU . . . -35.45 -65.93 0.41 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 m -100.65 -75.43 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.69 -107.51 1.06 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.473 ' HA2' ' CG ' ' A' ' 46' ' ' LEU . . . 141.97 170.46 12.52 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.9 t -92.92 127.29 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.525 HD11 ' CE3' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -109.69 156.41 20.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.7 m -125.3 133.8 52.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.391 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.518 ' CE2' HG23 ' A' ' 63' ' ' VAL . 14.5 m-85 -111.53 119.03 37.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -39.04 -55.49 1.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -100.08 150.61 37.04 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.422 ' CA ' HG23 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.06 -51.24 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.524 1.802 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.76 -42.45 93.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -59.36 -30.01 68.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.446 ' CB ' HG13 ' A' ' 9' ' ' VAL . . . -78.89 -43.06 25.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.371 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.3 -43.25 99.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.351 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -56.92 -17.55 10.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.518 HG23 ' CE2' ' A' ' 54' ' ' PHE . 56.6 t -91.51 -44.72 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.448 ' C ' ' N ' ' A' ' 66' ' ' GLN . 10.6 mt -61.98 -38.08 87.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.81 -30.19 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.454 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 1.5 tt0 -92.5 112.79 24.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.88 2.37 20.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -129.06 149.71 50.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.356 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.53 ' CD2' HD21 ' A' ' 78' ' ' LEU . 84.3 m-70 -153.98 137.21 15.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.624 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -124.41 121.96 36.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.5 tp -143.93 100.02 3.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.417 ' NE2' HD11 ' A' ' 24' ' ' LEU . 0.3 OUTLIER 64.62 54.46 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.571 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 50.69 77.61 0.12 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -177.92 137.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.324 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -91.32 100.57 13.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.417 HD11 ' N ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -80.54 130.24 35.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 m -95.64 99.83 11.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.563 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -86.84 143.11 27.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -152.75 161.09 30.09 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 113.56 3.82 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.514 1.797 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.433 ' HA ' ' HB2' ' A' ' 12' ' ' GLU . . . -66.84 160.67 67.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 156.93 42.86 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 55.53 3.98 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.33 110.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.94 151.96 76.58 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 153.36 41.74 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -121.9 120.35 34.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -172.75 117.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -166.96 61.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -152.83 89.55 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.7 -67.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 52.63 82.79 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 162.67 157.01 8.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -95.02 159.79 32.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 168.95 23.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 159.41 41.23 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.793 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 158.78 71.18 0.02 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.0 t -140.68 150.12 43.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 110.402 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.43 139.47 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.06 97.32 0.34 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 104.48 1.91 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.8 t -98.81 122.09 41.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.3 m -162.17 165.77 26.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.966 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 t -159.94 -48.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 109.977 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 m 63.32 -82.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.958 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.47 116.85 2.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 t -109.48 -50.1 3.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.774 . . . . 0.0 110.019 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m 51.99 85.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.73 -101.2 0.15 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.8 170.91 48.47 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.431 HG21 ' CA ' ' A' ' 57' ' ' PRO . 6.1 t -129.57 120.03 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.29 144.31 50.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.2 t -126.77 124.69 65.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -75.87 117.66 17.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.1 t -101.13 129.79 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -129.8 145.5 51.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 14' ' ' ARG . . . 77.44 61.25 2.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.543 1.152 . . . . 0.0 111.051 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.489 ' CD1' ' CD1' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -132.9 123.02 17.9 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 109.334 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 149.17 36.27 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.799 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -29.87 7.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.515 1.797 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.99 -30.85 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t -87.39 128.31 55.54 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.4 24.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -76.06 -12.52 60.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.15 -46.87 75.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.34 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.502 HD11 ' CD2' ' A' ' 72' ' ' HIS . 0.3 OUTLIER -72.13 -51.61 20.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.554 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -39.14 -38.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' GLU . 29.5 p -85.6 -50.89 6.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.357 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.498 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -44.05 -34.38 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -76.97 -62.22 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.554 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 15.7 m-85 -57.38 -17.76 14.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' THR . 2.0 mt-10 -86.5 -43.18 12.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.47 124.46 23.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -24.3 54.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -48.43 17.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -66.97 -49.32 65.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' A' ' 36' ' ' GLY . 0.4 OUTLIER -102.95 -82.25 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.404 ' N ' ' OG ' ' A' ' 35' ' ' SER . . . 123.91 61.42 0.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.436 ' HA3' ' CG2' ' A' ' 63' ' ' VAL . . . -142.07 -109.91 0.77 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.76 -153.56 7.13 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 156.16 42.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.558 1.82 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.461 HG13 ' CD2' ' A' ' 52' ' ' LEU . 71.8 t -110.99 125.06 68.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -66.44 -55.08 17.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 t -157.26 178.92 9.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.47 ' CE3' HD13 ' A' ' 52' ' ' LEU . 10.4 t-105 -146.75 140.41 25.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 107.982 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.49 111.35 13.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -86.53 110.96 20.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -123.49 92.25 3.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 60.57 -145.85 47.07 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.4 m -65.61 78.31 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . 128.79 -130.07 6.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 138.27 173.26 12.88 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.5 t -102.99 127.51 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.318 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.566 HD22 ' CE1' ' A' ' 54' ' ' PHE . 1.1 tt -109.59 151.1 27.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.9 m -119.59 128.2 53.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.566 ' CE1' HD22 ' A' ' 52' ' ' LEU . 22.7 m-85 -104.93 126.68 52.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.445 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 48.4 ttt85 -40.11 -60.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -102.4 157.21 34.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.431 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.3 Cg_endo -75.0 -52.86 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.445 1.761 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.81 -38.69 82.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -66.72 -19.11 65.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.471 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . . . -93.3 -32.29 14.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.426 ' HG2' ' N ' ' A' ' 62' ' ' ARG . 3.5 pt-20 -72.42 -39.16 68.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.426 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -58.08 -19.62 33.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.436 ' CG2' ' HA3' ' A' ' 37' ' ' GLY . 22.9 t -90.0 -46.66 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.362 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.433 ' C ' ' N ' ' A' ' 66' ' ' GLN . 10.4 mt -59.3 -40.11 85.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.73 -30.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.446 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 8.6 tt0 -86.32 116.31 24.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.16 2.74 19.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 109.287 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -129.15 147.3 50.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.573 ' CD2' HD23 ' A' ' 78' ' ' LEU . 75.7 m-70 -153.04 126.23 8.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.568 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.87 129.38 50.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 25' ' ' LEU . 2.2 tp -149.49 105.73 3.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.502 ' CD2' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER 61.41 68.53 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 109.612 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 72' ' ' HIS . . . 37.64 88.74 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.454 1.096 . . . . 0.0 111.019 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 170.68 148.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.367 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -101.1 105.8 17.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.47 ' N ' ' CD2' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -91.46 131.42 36.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.0 m -98.38 99.91 11.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.573 HD23 ' CD2' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -86.73 139.0 31.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -152.76 162.49 26.29 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 114.63 4.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.55 1.816 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.22 170.47 6.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 149.51 36.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.523 1.802 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 160.01 40.74 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.36 86.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 60.78 154.42 0.1 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -49.34 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -169.61 68.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.35 61.15 0.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.51 -67.95 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.5 mm? 51.93 82.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -60.14 144.9 48.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -83.51 125.41 31.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.26 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -141.47 112.35 0.76 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -158.07 151.06 18.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 168.63 24.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 153.61 41.64 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -164.48 103.42 0.21 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 39.4 p -142.92 115.18 8.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 110.415 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.3 t -144.65 155.6 43.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.039 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 49.45 80.91 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.524 1.14 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 176.55 9.78 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.35 141.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.035 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.1 t -176.03 136.51 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.64 -58.01 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 0.805 . . . . 0.0 110.056 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.1 p -96.07 125.84 40.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.998 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.07 171.84 26.49 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.51 86.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.971 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.46 -55.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.91 -68.94 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.556 1.16 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -129.0 -166.93 12.05 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 57' ' ' PRO . 41.1 t -118.5 124.79 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.47 143.81 49.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.1 t -128.34 120.63 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.69 114.61 12.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.471 ' CG2' HD12 ' A' ' 78' ' ' LEU . 96.3 t -95.62 135.18 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 77' ' ' SER . 2.6 ttm180 -134.29 146.94 50.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.3 65.24 2.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.482 HD12 ' CD1' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -129.39 126.68 22.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.556 0.798 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 151.38 39.59 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.53 1.805 . . . . 0.0 111.045 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -43.79 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.515 1.797 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.5 -37.44 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.5 t -80.57 122.21 82.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.476 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.6 Cg_endo -74.9 179.91 5.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' GLU . 4.7 p-10 -76.89 -45.94 26.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.467 ' CG ' HD22 ' A' ' 24' ' ' LEU . 1.1 pm0 -35.3 -51.05 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.515 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -66.95 -52.75 39.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.546 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -39.67 -37.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.8 p -87.95 -49.08 7.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.426 1.079 . . . . 0.0 110.385 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -45.91 -30.21 1.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.402 ' CE1' ' O ' ' A' ' 70' ' ' GLU . 58.0 t80 -82.81 -64.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.568 ' CZ ' HD13 ' A' ' 78' ' ' LEU . 13.3 m-85 -54.04 -27.25 31.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -75.74 -45.44 36.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.65 139.17 57.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 33' ' ' ARG . 10.0 ptt180 -83.94 -37.08 22.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -63.84 -49.64 72.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -58.24 -58.95 6.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 t -104.86 -82.07 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.53 79.91 0.33 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.554 1.159 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.14 -89.52 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.04 -153.55 11.76 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.93 21.53 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.7 t -121.21 123.45 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -54.63 23.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.86 179.5 9.05 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.544 ' CZ2' HD22 ' A' ' 25' ' ' LEU . 8.6 t-105 -147.01 122.24 10.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 108.01 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.59 104.56 12.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.411 ' C ' ' CD2' ' A' ' 46' ' ' LEU . 0.0 OUTLIER -82.9 121.01 26.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 110.338 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.411 ' CD2' ' C ' ' A' ' 45' ' ' ARG . 3.4 mm? -130.24 87.6 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.35 -117.58 4.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 97.2 m -81.84 -51.27 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.71 -120.49 4.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 139.14 166.42 10.6 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.3 t -89.8 124.04 42.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.773 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.457 HD22 ' CE1' ' A' ' 54' ' ' PHE . 3.3 tt -109.88 153.26 24.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.3 m -120.87 138.05 54.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.502 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 16.0 m-85 -112.3 125.24 53.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.0 ttt85 -38.13 -60.77 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -99.39 155.7 36.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.423 ' HB3' ' CG2' ' A' ' 9' ' ' VAL . 18.3 Cg_endo -74.99 -53.16 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.556 1.819 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.81 -39.52 89.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -61.22 -25.17 66.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.502 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . . . -81.62 -53.59 6.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -56.4 -36.66 69.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -27.44 40.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.5 t -85.91 -44.92 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 65' ' ' ALA . 9.9 mt -56.75 -38.88 73.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.45 -36.14 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.443 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 0.2 OUTLIER -88.0 116.26 26.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.14 2.56 20.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -125.72 145.22 50.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.556 ' CD2' HD23 ' A' ' 78' ' ' LEU . 65.8 m-70 -148.67 134.22 18.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.579 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.402 ' O ' ' CE1' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -119.43 132.26 55.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.46 ' CB ' HD23 ' A' ' 76' ' ' LEU . 43.6 tp -152.53 95.62 2.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 60.45 61.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.557 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 48.52 76.84 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -177.74 132.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.746 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -87.93 97.49 10.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.46 HD23 ' CB ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -78.57 125.4 29.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.142 . . . . 0.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 14' ' ' ARG . 13.7 m -90.93 101.05 13.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.568 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -86.57 143.9 27.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -152.76 158.44 33.11 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.132 . . . . 0.0 110.255 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 115.53 4.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.485 1.782 . . . . 0.0 111.044 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.96 158.09 82.14 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.07 39.46 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 167.05 27.91 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.784 . . . . 0.0 111.055 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.73 95.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -119.53 152.09 52.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.237 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 154.95 43.17 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -174.62 -73.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -174.5 134.58 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.14 138.98 48.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -159.04 126.45 4.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.52 151.19 33.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -107.83 161.61 14.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -108.8 157.16 15.33 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -90.44 144.48 30.86 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.486 0.756 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 171.2 18.77 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 176.14 10.3 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 111.002 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -156.91 121.99 1.13 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.66 119.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.0 m -166.81 -178.66 4.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.962 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -145.44 134.0 5.31 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.115 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 159.63 41.2 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.533 1.807 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.5 p -177.1 160.48 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.95 168.17 20.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.64 120.33 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.764 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.05 88.23 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.99 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.19 -165.28 13.63 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.2 -54.93 1.04 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 0.75 . . . . 0.0 110.035 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.48 101.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.83 -130.86 10.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.16 -174.04 42.55 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.494 ' O ' ' CG2' ' A' ' 53' ' ' THR . 2.0 t -134.33 141.29 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.07 144.57 45.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.5 t -132.32 118.83 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -74.81 116.11 15.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 110.338 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.3 t -103.43 136.99 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.488 ' HG2' ' CB ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -139.06 149.2 44.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.93 42.52 10.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.453 ' CD2' HD11 ' A' ' 25' ' ' LEU . 0.9 OUTLIER -111.91 123.47 34.49 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.777 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 147.94 34.8 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.458 1.767 . . . . 0.0 111.035 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -32.98 4.93 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.479 1.779 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.49 -31.78 4.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -87.24 124.42 68.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 161.46 38.8 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.478 1.778 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -62.84 -39.41 94.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -39.95 -55.75 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -63.08 -50.78 69.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.592 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -40.31 -42.17 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.4 p -83.81 -51.15 7.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.432 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.499 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -43.26 -31.91 0.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.351 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.432 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 24.4 t80 -81.65 -65.24 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 15.2 m-85 -51.08 -49.93 59.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -51.58 -50.76 59.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -55.56 147.71 17.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.228 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -64.03 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.8 -51.45 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.432 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 6.8 mmp_? -46.53 -67.08 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 88.3 p -115.24 -72.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.017 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 134.33 60.38 0.07 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.36 -151.65 7.57 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.1 -154.04 6.95 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 97.85 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.002 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.8 t -45.93 119.51 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -58.45 -53.78 54.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.1 t -154.7 172.95 17.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.567 ' CZ2' HD21 ' A' ' 25' ' ' LEU . 15.1 t-105 -146.22 130.75 17.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 107.966 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -126.62 97.39 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -71.84 121.35 18.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.8 mt -112.04 -167.94 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -42.85 -87.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.14 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 61.7 m -55.34 -77.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.09 -85.86 1.23 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 145.42 159.57 8.19 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.1 t -86.94 127.73 40.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.501 HD21 ' CE1' ' A' ' 54' ' ' PHE . 1.0 OUTLIER -110.03 148.94 30.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.376 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 9' ' ' VAL . 7.7 m -115.39 122.12 44.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.365 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.513 ' CG ' ' HB1' ' A' ' 60' ' ' ALA . 9.2 m-85 -98.91 113.3 25.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.454 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 58.2 ttt-85 -38.57 -42.88 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.72 133.73 23.59 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.47 ' CB ' HG21 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.01 -36.12 2.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.09 -37.8 86.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -78.71 -24.51 44.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.513 ' HB1' ' CG ' ' A' ' 54' ' ' PHE . . . -77.29 -41.78 39.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -52.99 -47.99 67.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.252 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.12 -33.18 62.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.6 t -75.16 -36.8 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 65' ' ' ALA . 12.7 mt -70.89 -43.74 67.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.32 -33.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.405 ' N ' ' C ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -94.02 106.26 18.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.45 -0.08 18.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.413 ' O ' ' CD2' ' A' ' 69' ' ' HIS . 3.9 t70 -119.44 139.73 51.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.566 ' CD2' HD23 ' A' ' 78' ' ' LEU . 67.7 m-70 -150.95 134.82 16.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.603 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.6 124.26 44.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.419 ' CD2' ' HA ' ' A' ' 25' ' ' LEU . 15.0 tp -145.15 102.63 3.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 58.69 65.89 1.16 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 109.579 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' A' ' 74' ' ' ALA . . . 41.95 86.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . 168.42 139.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -93.77 110.13 21.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.4 ' CD1' ' N ' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -90.25 131.76 35.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.488 ' CB ' ' HG2' ' A' ' 14' ' ' ARG . 0.9 OUTLIER -94.34 105.59 17.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.566 HD23 ' CD2' ' A' ' 69' ' ' HIS . 1.1 mm? -93.8 133.92 36.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.6 mtt-85 -152.65 161.4 29.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 115.21 4.22 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.23 162.35 55.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 113.5 3.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -179.61 5.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.462 1.769 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.33 101.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 72.1 161.15 0.16 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -38.05 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.466 1.771 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 49.62 88.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -130.31 152.06 50.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.6 tt -65.84 140.42 58.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.36 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.3 tp -120.23 140.41 51.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -50.29 110.95 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.76 99.39 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 175.01 123.19 0.73 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.414 ' N ' HD22 ' A' ' 94' ' ' LEU . 4.2 mm? -82.96 151.47 63.84 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.49 0.759 . . . . 0.0 109.366 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 172.58 16.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.448 1.762 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.3 16.63 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.541 1.811 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -176.24 77.31 0.07 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 70.1 p -122.72 137.09 55.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 110.395 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.6 p -167.08 163.89 15.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 110.019 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 155.07 100.93 0.18 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.558 1.161 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 170.42 20.46 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.534 1.808 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.1 t -161.93 146.89 12.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.986 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.55 -58.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.985 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.541 1.151 . . . . 0.0 111.026 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 t -111.4 150.79 29.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 109.982 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.6 t 42.02 84.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.89 -64.02 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.454 ' CB ' ' NH1' ' A' ' 84' ' ' ARG . 66.4 m 61.35 172.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.783 . . . . 0.0 109.951 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.4 m 55.6 86.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.959 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.1 101.28 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.05 -136.68 13.71 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.472 HG21 ' CB ' ' A' ' 57' ' ' PRO . 2.0 t -140.14 142.27 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.754 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.73 140.21 42.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.6 t -128.32 118.19 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' ARG . 52.6 tt0 -73.64 108.92 6.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.473 ' CG2' HD11 ' A' ' 78' ' ' LEU . 97.7 t -91.47 139.44 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -136.55 145.14 44.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.09 66.52 2.01 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -135.06 126.34 17.59 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 109.265 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 146.82 33.18 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.537 1.809 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -35.21 3.29 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.797 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.33 -45.0 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.5 t -72.39 127.27 90.38 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 168.91 23.79 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.475 1.776 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -73.45 -22.92 60.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.36 -52.81 62.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.474 HD12 ' CD2' ' A' ' 72' ' ' HIS . 0.3 OUTLIER -67.31 -48.74 66.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.475 ' CD1' HD11 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -40.62 -45.84 2.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.8 p -78.06 -50.75 11.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.5 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -44.28 -31.84 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -79.47 -66.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.565 ' CZ ' HD12 ' A' ' 78' ' ' LEU . 19.6 m-85 -52.58 -29.73 27.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -73.34 -45.51 54.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.12 137.72 57.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -85.68 -37.84 18.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.6 mtt85 -63.03 -46.15 88.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.266 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -58.63 -63.45 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.78 -73.14 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.7 65.75 0.16 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.93 -131.48 2.71 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.65 -156.04 6.67 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.17 31.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.447 1.761 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.0 t -98.81 129.54 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.358 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -55.41 8.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.41 179.35 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.959 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.537 ' CZ2' ' HA ' ' A' ' 45' ' ' ARG . 9.5 t-105 -148.44 132.55 17.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 108.022 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -121.31 97.26 5.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.537 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 11.7 ttp180 -74.26 130.03 38.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 64.9 mt -131.21 98.69 4.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.22 -117.82 5.33 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 58.9 m -88.38 62.19 6.53 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 146.39 -140.21 8.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 140.36 161.57 8.76 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.0 t -92.72 130.81 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.552 HD23 ' CE1' ' A' ' 54' ' ' PHE . 5.2 tt -109.88 150.92 27.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.8 m -115.59 120.89 40.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 110.393 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.552 ' CE1' HD23 ' A' ' 52' ' ' LEU . 23.1 m-85 -102.05 119.29 38.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.6 ttt85 -41.46 -56.14 2.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -105.44 133.06 20.36 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.08 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.472 ' CB ' HG21 ' A' ' 9' ' ' VAL . 18.1 Cg_endo -74.97 -34.94 3.47 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.504 1.792 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.85 -50.92 72.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.69 -39.27 93.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.46 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . . . -57.57 -40.69 79.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -59.34 -46.47 88.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -24.32 63.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.266 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 39.3 t -83.66 -39.87 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' A' ' 66' ' ' GLN . 11.7 mt -67.59 -43.64 80.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -39.44 -30.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.449 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 1.0 OUTLIER -89.51 112.23 23.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.36 2.08 19.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -123.16 141.09 52.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.576 ' CD2' HD21 ' A' ' 78' ' ' LEU . 68.7 m-70 -147.43 121.17 9.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.57 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.94 130.99 53.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.435 ' HB3' ' CD2' ' A' ' 76' ' ' LEU . 27.1 tp -151.48 95.51 2.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.474 ' CD2' HD12 ' A' ' 24' ' ' LEU . 0.8 OUTLIER 60.77 50.25 5.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.58 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.39 73.79 0.43 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.95 127.78 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.763 . . . . 0.0 109.305 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -88.65 93.48 9.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -76.61 135.03 39.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.8 m -95.4 100.52 12.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.576 HD21 ' CD2' ' A' ' 69' ' ' HIS . 0.5 OUTLIER -86.85 137.12 32.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 12' ' ' GLU . 78.1 mtt180 -152.59 157.29 33.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 122.73 7.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.1 158.49 81.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 135.78 19.55 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.493 1.786 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 157.49 43.02 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.477 1.777 . . . . 0.0 111.072 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.454 ' NH1' ' CB ' ' A' ' 5' ' ' SER . 11.0 ttt180 -82.54 95.03 7.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 65.12 153.4 0.12 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 125.1 9.1 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 40.53 89.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.2 ttt-85 -161.78 96.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.6 pp -111.79 119.69 39.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 tt -88.29 108.19 19.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.36 125.74 2.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -123.69 158.5 31.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.29 131.91 2.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -103.4 150.51 38.07 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 172.81 15.64 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.565 1.824 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 159.44 41.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.468 1.773 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -135.73 97.71 0.28 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.1 t -164.97 148.72 8.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 110.419 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 t -175.76 153.29 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 147.43 100.24 0.25 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 176.62 9.68 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.4 p -107.01 153.65 22.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.97 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.48 151.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.031 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -73.42 87.3 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 110.007 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.1 160.87 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.1 96.16 0.11 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.5 p 41.06 84.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 m 64.0 103.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.983 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.53 133.77 8.77 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 171.81 -110.55 0.36 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.416 HG21 ' CA ' ' A' ' 57' ' ' PRO . 29.0 t -124.46 124.31 68.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.489 0.758 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.48 151.97 48.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.9 t -135.72 118.99 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.33 110.79 9.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.473 HG22 ' CD1' ' A' ' 78' ' ' LEU . 75.5 t -89.5 136.22 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.473 ' HG3' ' N ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -131.21 142.05 50.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.473 ' N ' ' HG3' ' A' ' 14' ' ' ARG . . . 75.69 68.98 1.45 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.496 ' CD2' HD12 ' A' ' 25' ' ' LEU . 0.7 OUTLIER -134.59 124.76 17.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 109.269 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 150.12 37.61 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.538 1.809 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -40.58 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.432 1.753 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.34 -41.58 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.472 HG13 ' CD2' ' A' ' 71' ' ' LEU . 58.6 t -72.38 120.82 82.61 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.473 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.4 Cg_endo -74.99 149.24 36.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.547 1.814 . . . . 0.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -51.67 -38.3 54.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -41.57 -55.56 2.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.473 ' CD1' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -64.68 -51.67 61.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.505 ' CD2' ' CE2' ' A' ' 43' ' ' TRP . 2.8 tp -39.59 -44.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.0 p -79.5 -46.81 16.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.82 -38.07 33.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.484 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 28.6 t80 -71.57 -60.14 2.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.483 ' CZ ' HD13 ' A' ' 78' ' ' LEU . 13.3 m-85 -55.79 -40.62 72.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -61.2 -48.54 81.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.443 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 2.7 t-20 -58.08 143.07 44.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -60.25 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -47.44 -53.76 13.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.484 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 86.0 mmt-85 -42.81 -60.69 1.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -125.3 -68.65 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 120.95 75.0 0.39 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.37 -102.1 0.78 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.35 -155.62 18.24 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 103.07 1.67 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.433 ' CG1' HD21 ' A' ' 52' ' ' LEU . 55.0 t -57.45 120.74 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.71 -56.81 16.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.59 179.6 8.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.505 ' CE2' ' CD2' ' A' ' 25' ' ' LEU . 9.0 t-105 -148.22 114.83 5.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 107.987 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -105.9 97.71 7.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.43 127.26 32.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.3 mt -119.39 73.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.43 -90.67 0.73 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.122 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.8 m -80.95 -77.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.02 -112.6 1.26 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.82 168.26 12.06 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.8 t -93.34 129.56 43.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.524 HD23 ' CE1' ' A' ' 54' ' ' PHE . 1.1 tt -109.6 153.42 24.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.6 m -119.6 135.83 54.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.524 ' CE1' HD23 ' A' ' 52' ' ' LEU . 17.4 m-85 -113.94 122.93 48.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 54' ' ' PHE . 44.0 ttt180 -38.13 -59.63 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -98.1 154.13 37.84 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.416 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.5 Cg_endo -74.99 -52.04 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.461 1.769 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.69 75.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -65.52 -17.72 64.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -93.43 -40.95 10.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HG2' ' N ' ' A' ' 62' ' ' ARG . 4.2 pt-20 -61.82 -40.59 95.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.342 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.412 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -57.63 -36.08 71.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.568 HG12 ' CE1' ' A' ' 69' ' ' HIS . 60.1 t -73.7 -39.99 53.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 66' ' ' GLN . 13.6 mt -65.95 -44.43 85.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -38.8 -31.0 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 64' ' ' LEU . 1.1 tt0 -97.75 107.67 20.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.58 0.52 19.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -118.27 135.21 54.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.568 ' CE1' HG12 ' A' ' 63' ' ' VAL . 85.1 m-70 -153.1 125.01 7.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.614 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.99 142.93 38.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.475 ' CB ' HD21 ' A' ' 76' ' ' LEU . 44.5 tp -154.24 95.77 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 54.41 66.91 1.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.589 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 74' ' ' ALA . . . 49.89 82.18 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . 168.49 126.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -87.95 112.01 22.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.475 HD21 ' CB ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -90.2 121.43 32.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' ARG . 20.3 m -87.81 104.78 16.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.483 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 1.6 mm? -86.47 141.53 29.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -152.78 159.05 32.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 117.19 4.81 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.15 169.18 8.99 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.17 4.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 166.68 28.69 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.497 1.788 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.35 125.24 34.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -173.29 147.77 1.49 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 168.42 24.83 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.511 1.795 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -169.54 72.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -98.45 139.87 33.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.284 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.75 66.28 2.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.34 164.15 28.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.41 ' N ' HD21 ' A' ' 91' ' ' LEU . 1.1 mm? -51.15 128.88 23.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -164.61 106.93 0.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 165.92 108.09 0.21 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.76 145.89 32.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 109.251 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 171.48 18.23 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 177.48 8.52 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -100.76 -169.08 28.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.128 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.5 t -157.26 157.83 34.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.79 145.13 3.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.031 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.15 96.69 0.14 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.454 1.096 . . . . 0.0 111.004 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 176.64 9.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.6 t -118.04 147.4 43.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 27.6 t -53.15 159.18 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.995 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.571 1.17 . . . . 0.0 110.996 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.5 t -108.06 -58.36 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.2 p -66.47 152.27 45.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.033 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.33 168.84 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.44 -59.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 0.0 109.979 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -65.26 144.93 56.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.71 -150.53 22.23 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.43 179.74 48.02 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.441 HG23 ' CA ' ' A' ' 57' ' ' PRO . 16.5 t -125.03 122.31 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.455 0.738 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.32 143.88 51.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 52.8 t -127.32 124.38 63.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.94 116.62 14.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.473 ' CG2' HD11 ' A' ' 78' ' ' LEU . 85.4 t -96.4 132.37 40.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 77' ' ' SER . 14.8 ttm180 -132.89 147.13 52.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.18 68.5 1.59 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.473 HD13 ' CD1' ' A' ' 25' ' ' LEU . 1.2 tp -134.52 124.58 17.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 151.93 40.16 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.457 1.767 . . . . 0.0 111.051 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.422 ' C ' ' N ' ' A' ' 20' ' ' VAL . 18.2 Cg_endo -75.02 -43.11 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.444 1.76 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.87 -28.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.422 ' N ' ' C ' ' A' ' 18' ' ' PRO . 57.1 t -88.92 121.55 69.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.482 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.3 Cg_endo -74.99 -179.67 5.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' GLU . 6.0 p-10 -77.23 -46.24 23.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.489 ' CG ' HD21 ' A' ' 24' ' ' LEU . 1.2 pm0 -35.08 -51.06 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -66.27 -52.77 44.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.578 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -39.16 -40.19 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.8 p -84.41 -50.87 7.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -42.8 -31.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -82.49 -63.0 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.578 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 15.5 m-85 -54.07 -44.91 71.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -61.56 -44.6 96.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -55.45 134.67 50.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 ptt-85 -86.92 -29.65 21.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -45.41 19.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -62.33 -51.72 66.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.356 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.61 -77.29 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.006 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.48 73.01 0.5 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.501 1.125 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.75 -81.04 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.95 -157.18 28.52 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.422 ' HG2' ' CD ' ' A' ' 55' ' ' ARG . 18.3 Cg_endo -74.97 155.01 43.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.4 t -104.53 122.43 57.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.447 ' CD1' ' HA ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -63.02 -53.23 57.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.0 179.56 9.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.439 ' CZ2' HD21 ' A' ' 25' ' ' LEU . 8.8 t-105 -147.36 125.39 12.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 107.992 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -115.97 99.08 7.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -80.48 131.11 35.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.6 mt -128.34 -134.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -68.71 100.74 0.71 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.2 m 69.47 -65.43 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . -90.13 -114.07 1.57 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 135.69 173.97 13.21 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' GLN . 2.6 t -96.81 127.64 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.443 HD21 ' CE1' ' A' ' 54' ' ' PHE . 2.3 tt -110.58 152.2 26.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.4 m -122.04 132.71 54.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.408 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 13.9 m-85 -106.94 137.21 45.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.447 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 28.3 ttt180 -45.13 -62.29 1.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -103.7 160.22 26.81 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.441 ' CA ' HG23 ' A' ' 9' ' ' VAL . 18.1 Cg_endo -75.02 -46.33 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.448 1.762 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 62' ' ' ARG . . . -61.76 -44.04 97.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -57.7 -42.65 84.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.57 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . . . -67.4 -36.26 80.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -74.0 -34.52 64.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -62.52 -19.32 63.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 44.1 t -92.94 -44.2 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.423 ' C ' ' N ' ' A' ' 66' ' ' GLN . 9.2 mt -57.63 -38.78 75.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.21 -31.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.451 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 5.4 tt0 -90.51 114.88 27.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.04 2.38 20.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -127.7 147.65 50.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.364 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.566 ' CD2' HD21 ' A' ' 78' ' ' LEU . 61.2 m-70 -150.5 135.96 18.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.592 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.07 124.91 45.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.473 ' CD2' ' HA ' ' A' ' 25' ' ' LEU . 21.3 tp -144.64 98.93 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.493 ' CD2' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER 57.29 58.58 3.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.596 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 52.34 84.18 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 173.88 133.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -89.48 96.04 10.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.439 HD23 ' CB ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -77.23 126.34 30.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ARG . 6.4 m -92.97 99.69 12.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.566 HD21 ' CD2' ' A' ' 69' ' ' HIS . 0.4 OUTLIER -88.07 143.69 26.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -152.61 161.97 27.75 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.364 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 118.54 5.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.38 164.75 34.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 142.56 27.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 56.09 4.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.802 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.54 145.42 51.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -167.19 152.63 7.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.178 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 115.85 4.4 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.5 1.79 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -150.08 119.91 7.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -116.85 91.52 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.8 mt -148.58 107.43 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.246 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.79 90.74 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -49.48 124.74 9.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -63.0 94.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.325 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 162.98 176.77 35.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.546 1.153 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -162.72 157.41 18.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.35 20.61 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.447 1.762 . . . . 0.0 111.032 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 178.5 7.18 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -165.89 87.66 0.1 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.3 t -168.47 134.96 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.426 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.64 120.47 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.045 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -169.32 73.38 0.13 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -179.54 5.08 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.494 1.786 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 85.5 p -164.1 163.04 23.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 81.1 p -162.76 158.96 23.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.043 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 179.968 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.36 164.81 17.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.027 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 p 61.05 113.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.25 149.49 21.63 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.128 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 p -113.19 143.06 45.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 110.017 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -166.4 136.41 3.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.017 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.0 -164.06 11.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.135 . . . . 0.0 111.029 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -119.22 -80.59 0.68 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.428 HG23 ' CA ' ' A' ' 57' ' ' PRO . 3.1 t -120.82 130.36 74.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 109.368 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.53 143.67 45.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.464 ' CG1' HD21 ' A' ' 64' ' ' LEU . 57.8 t -127.33 119.13 51.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -76.66 115.99 16.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.283 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.431 ' CG2' HD11 ' A' ' 78' ' ' LEU . 84.3 t -97.08 139.51 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.41 ' N ' HG11 ' A' ' 13' ' ' VAL . 7.9 ttm180 -134.28 147.07 50.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.98 66.45 2.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.464 ' HA ' ' CD1' ' A' ' 76' ' ' LEU . 2.3 tp -128.27 124.74 23.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 150.07 37.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.92 2.28 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.459 1.768 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.49 -34.21 2.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.9 t -86.57 120.47 71.99 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.3 Cg_endo -75.02 -179.94 5.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 23' ' ' GLU . 6.0 p-10 -76.72 -46.42 25.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.466 ' CG ' HD23 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -35.13 -49.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -69.5 -53.3 19.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.597 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -39.78 -39.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' GLU . 49.9 p -83.04 -46.47 12.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.366 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.482 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.82 -30.57 14.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -80.41 -49.87 10.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 22.6 m-85 -76.62 0.84 18.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' THR . 17.2 mt-10 -101.32 -39.5 7.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.274 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.459 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -74.63 127.37 32.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -66.31 -53.29 38.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -50.06 62.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.459 ' CG ' ' HB3' ' A' ' 31' ' ' ASN . 0.2 OUTLIER -52.84 -62.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -105.76 -73.74 0.67 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 109.967 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.41 ' N ' ' OG ' ' A' ' 35' ' ' SER . . . 121.53 49.75 0.26 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.31 -100.67 1.48 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.28 -155.02 11.88 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 141.01 25.95 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.548 1.814 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.5 t -95.76 122.12 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -55.42 30.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.25 179.29 9.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.552 ' CZ2' ' HA ' ' A' ' 45' ' ' ARG . 11.1 t-105 -151.16 132.12 14.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 107.978 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -124.04 97.24 5.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.552 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 31.5 ttp180 -69.5 136.71 51.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.343 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 49' ' ' GLY . 31.8 mt -143.34 128.81 19.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.371 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' LEU . . . 37.93 -116.06 0.43 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 23.6 p -101.29 51.76 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' LEU . . . 166.85 -128.48 1.75 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 136.16 160.93 8.97 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.7 t -91.39 128.47 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' A' ' 54' ' ' PHE . 0.7 OUTLIER -109.75 156.64 20.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.0 m -123.71 133.69 53.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CE2' HG21 ' A' ' 63' ' ' VAL . 16.4 m-85 -112.61 121.12 43.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.1 ttt-85 -38.75 -57.55 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -99.32 151.23 37.34 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.083 . . . . 0.0 110.356 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.428 ' CA ' HG23 ' A' ' 9' ' ' VAL . 18.3 Cg_endo -74.94 -51.21 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.31 -44.02 88.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -56.44 -33.91 66.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.57 -59.04 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -50.76 -46.33 59.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -47.26 -35.95 8.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.564 HG21 ' CE2' ' A' ' 54' ' ' PHE . 26.3 t -77.73 -36.73 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.464 HD21 ' CG1' ' A' ' 11' ' ' VAL . 26.8 mt -68.08 -37.92 81.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.06 -31.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.431 ' N ' ' C ' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -93.64 113.77 25.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.95 -0.56 21.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 69' ' ' HIS . 4.4 t70 -124.86 142.67 51.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.45 ' CE1' ' O ' ' A' ' 63' ' ' VAL . 96.0 m-70 -156.1 119.05 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.604 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.6 134.1 53.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.9 tp -150.92 99.52 2.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.41 ' NE2' HD13 ' A' ' 24' ' ' LEU . 1.7 m-70 65.92 69.46 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.617 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 72' ' ' HIS . . . 37.66 86.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 171.8 148.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.14 100.57 11.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -88.89 127.3 35.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.2 m -98.33 107.2 19.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.026 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.567 HD12 ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -91.12 137.21 32.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 12' ' ' GLU . 14.7 mtt-85 -152.69 160.09 31.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 120.96 6.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.36 157.99 83.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 113.39 3.78 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 152.23 40.4 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.57 90.14 3.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 72.26 118.55 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 118.03 5.12 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.494 1.786 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 48.01 72.4 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.168 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -87.45 145.37 26.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.293 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -171.06 93.8 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.32 133.34 16.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.41 118.38 4.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -157.41 125.74 5.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 110.72 74.89 0.78 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.69 154.51 73.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.2 20.94 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.788 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 177.61 8.37 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.466 1.772 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 144.34 99.52 0.29 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.153 . . . . 0.0 111.0 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.7 m -130.27 98.54 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 110.347 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.2 144.42 25.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.023 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -114.3 157.39 15.01 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 126.18 9.82 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.573 1.828 . . . . 0.0 111.032 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.9 t -159.28 127.94 5.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 33.9 t 64.3 153.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 m 52.8 85.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 0.787 . . . . 0.0 110.001 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -144.23 -58.93 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.45 179.28 8.14 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 50.15 91.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 0.803 . . . . 0.0 109.989 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.9 p -102.74 98.38 8.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.969 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.21 169.64 26.94 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.538 1.148 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.93 113.1 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.42 HG23 ' CA ' ' A' ' 57' ' ' PRO . 14.1 t -132.03 125.71 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.85 145.9 51.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.5 t -129.21 117.55 43.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 79' ' ' ARG . 3.5 tm-20 -74.6 114.56 13.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.457 HG23 ' CD1' ' A' ' 78' ' ' LEU . 78.7 t -96.72 135.92 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.3 147.66 51.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.423 ' O ' ' CD1' ' A' ' 76' ' ' LEU . . . 73.1 68.12 1.66 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.473 ' CD2' HD13 ' A' ' 25' ' ' LEU . 1.9 tp -131.71 120.97 17.88 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.781 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 155.9 42.84 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.407 ' C ' ' N ' ' A' ' 20' ' ' VAL . 18.3 Cg_endo -74.93 -40.72 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.769 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.59 -32.23 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.453 HG12 ' CD2' ' A' ' 71' ' ' LEU . 4.7 t -85.75 123.49 72.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 170.92 19.35 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.79 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 23' ' ' GLU . 43.4 m-20 -70.5 -55.06 9.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -36.24 -44.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 110.272 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -65.4 -65.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.604 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -35.67 -38.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' GLU . 2.1 p -79.88 -47.7 14.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.412 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.529 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -48.26 -40.34 24.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -68.88 -52.08 33.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 19.9 m-85 -68.39 -12.61 61.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' THR . 6.9 mt-10 -88.36 -44.78 10.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -67.07 122.1 17.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -71.5 -21.43 61.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -76.6 -45.14 31.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -62.18 -54.67 37.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.2 p -112.87 -75.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.035 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.59 58.08 0.07 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.12 -124.9 2.68 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.03 -152.71 6.54 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 96.31 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.47 HG11 ' CD2' ' A' ' 52' ' ' LEU . 53.6 t -44.05 120.88 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -58.85 -57.56 12.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 t -147.84 176.95 9.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.57 ' CE3' HD12 ' A' ' 52' ' ' LEU . 8.6 t-105 -151.16 122.25 7.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 108.065 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -118.07 97.36 5.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -73.75 135.4 43.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.1 mt -133.48 -156.82 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.252 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 48' ' ' CYS . . . -69.15 120.87 10.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 47' ' ' GLY . 27.8 p 39.58 57.21 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 139.8 -141.2 11.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.86 167.07 13.5 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.2 t -93.56 125.02 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.57 HD12 ' CE3' ' A' ' 43' ' ' TRP . 2.1 tt -110.4 153.74 24.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.3 m -119.51 133.06 55.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.419 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.418 ' CE1' HD23 ' A' ' 52' ' ' LEU . 10.3 m-85 -109.05 122.8 48.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.463 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 49.2 ttt85 -41.26 -56.26 2.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -100.28 149.74 36.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.42 ' CA ' HG23 ' A' ' 9' ' ' VAL . 18.4 Cg_endo -75.0 -50.31 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.554 1.818 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.73 -45.18 86.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -55.33 -36.17 65.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.41 ' CB ' HG13 ' A' ' 9' ' ' VAL . . . -64.85 -52.67 55.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 64' ' ' LEU . 33.5 mm-40 -53.89 -52.29 60.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.3 mtt85 -43.81 -42.36 5.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.408 HG21 ' CE2' ' A' ' 54' ' ' PHE . 47.3 t -68.97 -37.11 76.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 61' ' ' GLU . 64.7 mt -69.74 -32.56 71.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -40.16 -30.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.438 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 2.9 tt0 -103.35 114.28 28.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.69 -0.31 23.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -121.88 139.13 54.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.559 ' CD2' HD22 ' A' ' 78' ' ' LEU . 89.7 m-70 -148.47 128.69 13.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.57 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.72 127.46 50.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.453 ' CD2' HG12 ' A' ' 20' ' ' VAL . 3.0 tp -145.0 98.28 3.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 66.79 68.59 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.593 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 39.93 88.17 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 169.54 147.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 0.803 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -101.65 105.87 16.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -91.94 125.86 36.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 m -93.77 101.57 13.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.567 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 1.1 mm? -86.57 136.86 32.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 12' ' ' GLU . 49.6 mtt180 -152.51 158.58 33.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 122.45 7.24 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.447 1.762 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.02 154.78 91.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 157.52 42.68 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.538 1.809 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 147.97 34.46 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.792 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -131.45 168.75 17.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -118.31 157.46 49.11 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 132.15 15.11 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 111.041 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -171.75 90.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -125.63 116.95 22.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.4 tp -168.97 82.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.088 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.2 pp -114.01 126.92 55.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 91' ' ' LEU . 1.1 mt -77.81 141.74 39.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -140.89 136.56 32.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -166.02 -169.02 29.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.501 ' CD1' ' N ' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -169.82 157.91 6.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.495 ' O ' ' CD2' ' A' ' 94' ' ' LEU . 18.1 Cg_endo -74.99 165.43 31.33 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.798 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 174.33 12.95 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.479 1.778 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -139.6 130.23 4.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 22.1 m -143.73 126.02 15.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.389 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 78.9 p -122.05 171.34 9.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.978 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -169.86 102.63 0.18 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -177.33 3.38 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 111.069 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.2 m -134.58 171.7 13.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.36 171.94 13.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.14 . . . . 0.0 111.028 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.03 -58.77 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 110.011 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 p -40.63 144.95 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.12 -119.04 16.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -164.02 163.63 23.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.29 135.63 51.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.958 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.14 -94.22 2.24 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -138.01 156.87 24.06 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.458 HG23 ' CA ' ' A' ' 57' ' ' PRO . 24.2 t -122.89 125.37 72.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.93 148.79 51.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 97.3 t -133.51 123.7 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.78 113.48 10.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.246 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.463 ' CG2' HD13 ' A' ' 78' ' ' LEU . 75.0 t -95.39 129.94 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 77' ' ' SER . 2.1 ttm180 -131.16 145.63 52.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.97 66.95 1.82 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.475 HD12 ' CD1' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -134.99 125.58 17.25 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.563 0.802 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.83 34.54 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.534 1.807 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -32.62 5.24 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.11 -41.68 17.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.3 t -76.65 124.67 87.8 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 165.7 30.76 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 3.4 p-10 -65.85 -40.19 91.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -38.59 -55.28 1.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -65.03 -51.06 63.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.553 ' CD2' ' CE2' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -39.34 -43.86 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 48.8 p -81.08 -50.34 9.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.499 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -44.97 -34.14 2.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.519 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 46.5 t80 -75.27 -65.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.088 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.553 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 21.8 m-85 -53.58 -36.24 61.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -62.78 -48.8 77.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.405 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -69.17 142.81 54.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -78.48 -62.6 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -39.7 -47.49 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.519 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 6.1 mmt85 -51.89 -64.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 28' ' ' TYR . 2.4 p -119.75 -61.86 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.78 70.87 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.28 -151.07 5.37 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.9 -160.46 10.55 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 96.99 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.441 1.758 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.459 HG11 ' CD2' ' A' ' 52' ' ' LEU . 53.7 t -47.14 120.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.06 -59.45 4.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.31 179.43 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.024 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.553 ' CE2' ' CD2' ' A' ' 25' ' ' LEU . 7.8 t-105 -148.36 120.31 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -109.83 97.79 7.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 110.343 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.515 ' HG3' ' CZ2' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -72.11 133.06 44.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.7 mt -128.13 82.96 2.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.34 -85.51 0.1 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 0.0 111.064 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 60.5 m -92.74 -76.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.1 -118.14 0.51 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 134.15 161.52 9.63 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.0 t -88.33 125.67 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.76 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.459 ' CD2' HG11 ' A' ' 40' ' ' VAL . 1.8 tt -109.44 152.35 25.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.102 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 62.2 m -121.86 133.35 54.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.453 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.518 ' CG ' ' HB3' ' A' ' 60' ' ' ALA . 18.2 m-85 -108.32 129.0 55.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' PHE . 36.0 ttt85 -38.23 -61.99 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -105.27 161.26 23.3 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.458 ' CA ' HG23 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.08 -46.25 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.459 1.768 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.55 99.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -57.51 -36.81 72.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.518 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . . . -74.23 -46.57 40.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.44 -48.65 80.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -21.67 1.86 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.439 HG21 ' CE2' ' A' ' 54' ' ' PHE . 85.9 t -88.59 -51.96 11.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 65' ' ' ALA . 12.5 mt -54.38 -38.17 65.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.28 -36.23 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.458 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 10.8 tt0 -85.46 118.8 25.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.82 6.06 19.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.19 138.89 51.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.566 ' CD2' HD23 ' A' ' 78' ' ' LEU . 31.8 m-70 -146.51 131.53 18.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.601 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 71' ' ' LEU . 0.7 OUTLIER -120.75 135.67 55.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.438 ' CB ' HD21 ' A' ' 76' ' ' LEU . 26.2 tp -154.13 96.53 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 61.24 62.63 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 109.628 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 46.59 78.0 0.09 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -178.95 135.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -90.02 97.56 11.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.438 HD21 ' CB ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -77.7 126.37 30.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 14' ' ' ARG . 14.3 m -93.53 97.63 10.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.582 ' N ' ' CD2' ' A' ' 78' ' ' LEU . 0.3 OUTLIER -87.21 142.05 28.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -152.59 160.63 30.92 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 119.92 5.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.777 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.44 157.84 84.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 146.92 33.32 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.495 1.787 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.66 36.83 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.3 ttt-85 -172.67 -61.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -172.26 151.01 2.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 176.92 9.27 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.523 1.802 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -145.86 125.89 13.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.79 -55.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.7 mt 60.63 87.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -147.51 -62.7 0.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.29 -62.92 0.68 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.3 -65.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.312 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 122.48 75.23 0.33 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.469 1.105 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -111.51 158.41 36.41 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.74 28.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 164.32 33.53 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.768 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.55 137.08 16.98 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.112 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.6 t -106.76 -26.94 11.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 110.401 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.31 94.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.975 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.6 76.51 0.23 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 179.12 6.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.799 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.41 137.06 33.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.037 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.3 p -162.76 146.66 11.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 0.0 110.941 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 p -140.57 134.28 30.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.763 . . . . 0.0 110.019 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 m -111.06 167.75 10.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.16 96.69 0.09 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.566 1.166 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.67 -57.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.976 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -149.58 123.18 9.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.983 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.58 -108.77 0.97 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.03 -84.69 0.58 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.449 HG22 ' CA ' ' A' ' 57' ' ' PRO . 58.7 t -125.57 121.73 60.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.767 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.36 139.91 50.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.6 t -123.05 124.59 70.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 79' ' ' ARG . 5.7 tm-20 -74.94 112.28 11.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.447 ' CG2' HD11 ' A' ' 78' ' ' LEU . 74.8 t -96.86 135.52 30.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.13 145.94 44.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.93 69.54 1.38 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.442 1.089 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.464 ' CD2' HD13 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -136.4 124.63 15.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 0.76 . . . . 0.0 109.284 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 150.58 38.26 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -36.84 2.3 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.07 -41.56 5.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.5 t -74.07 122.2 86.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 156.47 43.16 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -59.25 -36.01 74.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.411 ' O ' ' OG1' ' A' ' 26' ' ' THR . 9.6 tt0 -43.12 -55.68 3.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -62.97 -51.44 66.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.536 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -40.1 -44.92 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 23' ' ' GLU . 62.6 p -80.04 -51.38 9.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.511 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -43.16 -37.17 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -73.63 -67.22 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.536 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 20.1 m-85 -50.31 -36.74 33.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -66.32 -47.04 74.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.441 ' CB ' ' HG3' ' A' ' 34' ' ' ARG . 1.1 m-20 -60.59 140.15 57.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.5 ptt-85 -89.37 -34.43 16.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -37.57 72.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.441 ' HG3' ' CB ' ' A' ' 31' ' ' ASN . 8.4 mmt180 -64.17 -56.64 13.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.79 -59.86 1.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.69 74.5 0.94 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.56 1.163 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.455 ' HA3' ' CG2' ' A' ' 63' ' ' VAL . . . -139.86 -79.94 0.07 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.49 -158.49 30.27 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.429 ' HG2' ' CD ' ' A' ' 55' ' ' ARG . 18.2 Cg_endo -75.03 147.06 33.3 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 110.931 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.9 t -102.47 132.54 48.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -57.42 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.16 179.35 7.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.533 ' CE3' HD11 ' A' ' 52' ' ' LEU . 7.7 t-105 -148.04 118.53 7.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 107.995 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -109.77 97.34 6.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.52 133.8 40.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 29.3 mt -133.73 -161.17 1.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.3 110.83 3.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.4 t 47.78 68.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 129.0 -131.21 6.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 137.45 165.25 10.34 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.3 t -87.91 123.51 40.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.533 HD11 ' CE3' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -109.65 141.46 42.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.5 m -111.19 128.21 55.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.418 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 11.2 m-85 -102.23 132.12 48.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.429 ' CD ' ' HG2' ' A' ' 39' ' ' PRO . 22.8 ttt180 -40.09 -61.8 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -105.39 161.61 22.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.449 ' CA ' HG22 ' A' ' 9' ' ' VAL . 18.5 Cg_endo -74.94 -47.06 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.507 1.793 . . . . 0.0 111.05 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.65 -44.49 96.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -55.46 -39.8 70.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.568 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . . . -70.03 -43.44 71.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -61.53 -51.36 68.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.49 -24.06 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.458 HG21 ' CE2' ' A' ' 54' ' ' PHE . 57.0 t -86.45 -43.35 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.426 ' C ' ' N ' ' A' ' 66' ' ' GLN . 11.1 mt -60.33 -41.29 93.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.39 -32.43 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.255 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.434 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 0.4 OUTLIER -90.44 113.31 25.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.9 1.38 20.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -124.69 144.59 50.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.57 ' CD2' HD21 ' A' ' 78' ' ' LEU . 88.3 m-70 -149.89 111.47 4.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.553 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.92 130.17 42.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.424 ' HB3' ' CD2' ' A' ' 76' ' ' LEU . 22.3 tp -151.7 95.6 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 53.48 64.89 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.619 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 48.98 86.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 171.03 141.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -103.54 93.81 5.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.451 ' CD1' ' N ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -72.01 127.43 32.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.7 m -90.31 98.59 11.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.57 HD21 ' CD2' ' A' ' 69' ' ' HIS . 0.9 OUTLIER -86.34 141.73 29.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 12' ' ' GLU . 20.2 mtm180 -152.86 158.77 32.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.88 3.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.03 163.16 47.26 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.51 1.795 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 55.47 3.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.533 1.807 . . . . 0.0 111.041 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 169.45 -172.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -152.8 123.17 3.46 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.407 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 18.3 Cg_endo -74.98 119.0 5.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.53 1.805 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 86' ' ' PRO . . . 169.73 54.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -174.01 87.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.3 mm? 51.15 -179.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.2 tt -113.2 77.67 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.71 139.64 20.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -178.3 93.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.259 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -153.12 -135.55 2.19 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.43 158.68 35.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 169.54 22.39 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 164.16 33.81 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.762 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -103.54 -96.24 2.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 60.9 p -137.51 127.56 25.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 0.753 . . . . 0.0 110.408 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.7 t -157.46 162.17 38.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 154.15 84.93 0.05 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 176.52 9.81 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.3 t -141.86 142.92 33.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.963 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.4 t -142.31 150.81 41.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.147 . . . . 0.0 110.978 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.97 103.72 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.419 0.717 . . . . 0.0 110.033 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m 63.96 128.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.96 -166.94 31.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -73.58 127.6 33.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.792 . . . . 0.0 110.036 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -117.35 111.64 19.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.978 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.61 93.57 0.25 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 110.977 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.85 115.59 3.03 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.423 HG12 ' CB ' ' A' ' 60' ' ' ALA . 32.9 t -127.06 118.05 49.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.464 0.743 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.9 138.53 52.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.2 t -121.9 121.01 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -74.08 114.24 12.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.464 ' CG2' HD11 ' A' ' 78' ' ' LEU . 82.9 t -93.78 134.76 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 77' ' ' SER . 1.0 OUTLIER -134.69 146.12 49.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.48 60.38 3.03 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.118 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.442 HD12 ' CD1' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -129.48 125.99 22.64 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.287 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.13 40.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -38.1 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.474 1.776 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.46 -38.74 6.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.9 t -77.74 121.03 83.63 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.435 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.4 Cg_endo -75.01 157.72 42.57 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.534 1.807 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.577 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -60.18 -35.73 76.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -43.6 -55.14 4.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.469 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -63.07 -48.56 78.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.578 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -40.06 -47.02 2.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.432 ' C ' ' N ' ' A' ' 28' ' ' TYR . 25.7 p -79.42 -53.55 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.508 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -39.82 -31.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.432 ' N ' ' C ' ' A' ' 26' ' ' THR . 27.2 t80 -81.55 -61.69 1.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.578 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 22.9 m-85 -55.59 -43.92 76.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -59.67 -44.1 93.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.72 135.09 54.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -75.18 -62.95 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -42.23 -51.06 4.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -50.08 -68.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.254 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 p -109.06 -68.99 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.31 79.24 0.81 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.46 ' HA3' ' CG2' ' A' ' 63' ' ' VAL . . . -143.05 -85.19 0.08 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 165.81 -157.28 29.68 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.447 ' HG2' ' CD ' ' A' ' 55' ' ' ARG . 18.2 Cg_endo -75.02 141.73 26.93 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.2 t -96.78 120.64 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -56.82 17.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.33 179.34 8.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.577 ' CD1' ' HB3' ' A' ' 22' ' ' ASP . 13.4 t-105 -149.77 141.95 24.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.024 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -134.96 97.28 3.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.53 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 28.1 ttp85 -74.57 122.8 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.9 mt -110.79 -171.57 1.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -37.74 -90.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 m -104.67 69.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 134.23 -122.98 3.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.567 1.167 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 140.25 162.91 9.3 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.6 t -92.33 127.29 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.445 HD23 ' CE1' ' A' ' 54' ' ' PHE . 1.7 tt -109.91 147.63 33.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.7 m -115.65 133.07 56.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.379 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 16.1 m-85 -107.78 127.12 53.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.447 ' CD ' ' HG2' ' A' ' 39' ' ' PRO . 31.5 ttt-85 -38.2 -60.84 0.73 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.23 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -103.62 160.67 25.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.414 ' CA ' HG22 ' A' ' 9' ' ' VAL . 18.1 Cg_endo -75.05 -46.63 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.07 99.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -55.68 -40.46 72.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.564 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . . . -68.73 -50.46 50.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -56.44 -48.13 77.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.288 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -48.18 -24.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.46 ' CG2' ' HA3' ' A' ' 37' ' ' GLY . 21.5 t -90.04 -46.7 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 66' ' ' GLN . 10.8 mt -56.6 -40.59 75.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.14 -30.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.452 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 2.6 tt0 -89.35 114.37 25.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.88 2.46 20.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -126.92 147.69 50.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.558 ' CD2' HD22 ' A' ' 78' ' ' LEU . 65.3 m-70 -150.92 129.42 12.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.643 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -119.51 126.82 52.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.466 ' CD2' HD11 ' A' ' 25' ' ' LEU . 18.4 tp -147.44 95.62 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 60.9 63.26 1.31 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 109.621 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 46.92 82.52 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 175.83 131.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 109.264 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -88.85 97.86 11.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.31 127.49 32.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' ARG . 5.9 m -92.92 99.7 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.561 HD12 ' CZ ' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -86.41 140.44 30.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -152.52 158.93 33.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 113.79 3.87 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.84 170.67 5.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 114.99 4.15 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.534 1.807 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.35 35.06 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.546 1.814 . . . . 0.0 110.977 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.6 120.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.279 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -171.64 151.6 2.93 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 179.77 5.77 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.82 -56.97 6.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.61 141.95 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -167.86 125.11 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -176.96 73.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -49.78 140.55 11.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -178.1 128.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 159.25 113.15 0.33 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.112 . . . . 0.0 111.006 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.3 tp -154.93 141.32 13.12 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.541 0.789 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 167.96 25.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.488 1.783 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.1 27.79 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.773 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -159.71 113.67 0.58 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.16 133.72 54.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 0.759 . . . . 0.0 110.382 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 72.5 p -155.68 142.25 18.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 159.13 108.66 0.25 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 160.28 40.38 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.0 p -167.98 176.05 6.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.6 t 61.27 143.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.984 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.99 156.59 33.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 110.026 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m 59.54 113.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.026 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.43 -103.28 0.24 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.1 p -75.74 161.1 29.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 110.023 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 m -142.36 -59.39 0.45 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.025 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.37 -150.1 49.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.74 176.6 32.38 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.465 HG22 ' CA ' ' A' ' 57' ' ' PRO . 3.4 t -120.31 128.57 75.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 0.779 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.74 142.53 43.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.7 t -126.8 121.21 57.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -73.86 109.86 7.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.47 ' CG2' HD11 ' A' ' 78' ' ' LEU . 74.3 t -90.64 130.39 39.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.0 146.12 52.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.76 65.0 2.22 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.467 ' CD2' HD12 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -133.62 124.62 18.04 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.467 0.745 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.64 36.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.522 1.801 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -37.17 2.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.18 -30.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.8 t -87.61 122.41 70.5 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.463 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.2 Cg_endo -75.04 159.67 40.94 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.556 1.819 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -62.11 -34.8 77.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -44.57 -51.85 8.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.464 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -67.8 -48.19 66.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.5 OUTLIER -39.45 -44.52 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.428 ' C ' ' N ' ' A' ' 28' ' ' TYR . 20.3 p -80.85 -53.62 6.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.453 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.508 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -39.87 -31.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.428 ' N ' ' C ' ' A' ' 26' ' ' THR . 31.2 t80 -82.1 -60.24 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.562 ' CZ ' HD12 ' A' ' 78' ' ' LEU . 19.5 m-85 -58.82 -52.68 64.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -45.89 -53.06 10.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -62.04 146.82 49.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -88.19 -49.33 7.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -50.26 59.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -54.7 -63.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.9 p -104.1 -70.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 117.61 84.01 0.98 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.43 ' HA3' ' CG2' ' A' ' 63' ' ' VAL . . . -161.45 -83.85 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.91 -156.92 26.64 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 160.42 40.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.792 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.3 t -109.45 127.54 66.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -52.29 41.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.5 t -154.85 177.57 11.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.974 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.516 ' CZ2' HD23 ' A' ' 25' ' ' LEU . 12.2 t-105 -150.99 136.17 17.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 107.975 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -130.77 112.94 13.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 ttp85 -89.71 113.42 24.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -109.52 45.25 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.12 133.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.452 1.095 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.7 m 43.17 53.4 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 120.81 -147.64 17.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.149 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 145.01 175.87 18.53 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.5 t -96.27 125.35 49.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.532 0.784 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.538 HD22 ' CE1' ' A' ' 54' ' ' PHE . 2.1 tt -109.54 149.17 30.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.3 m -119.07 125.6 49.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.538 ' CE1' HD22 ' A' ' 52' ' ' LEU . 19.0 m-85 -100.69 134.62 43.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -41.7 -63.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -104.5 161.16 23.67 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.465 ' CA ' HG22 ' A' ' 9' ' ' VAL . 18.4 Cg_endo -75.03 -46.84 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.63 -45.72 92.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -57.77 -33.93 69.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.463 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . . . -76.66 -45.88 27.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -63.86 -37.55 87.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -19.11 41.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.3 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.43 ' CG2' ' HA3' ' A' ' 37' ' ' GLY . 25.7 t -94.46 -43.62 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.434 ' C ' ' N ' ' A' ' 66' ' ' GLN . 8.8 mt -57.15 -41.09 78.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.99 -29.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.45 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 3.1 tt0 -90.28 113.84 25.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.29 1.99 19.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.586 ' O ' ' CD2' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -123.67 153.81 40.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.586 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 65.2 m-70 -157.96 127.47 5.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.607 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -115.76 123.92 49.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 25' ' ' LEU . 20.0 tp -144.85 97.17 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.42 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER 61.61 54.39 3.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.649 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 54.19 74.91 0.26 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.108 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.82 132.02 0.43 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 0.75 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -89.84 95.57 10.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.02 136.08 38.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.1 m -98.34 96.58 8.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.57 HD21 ' CD2' ' A' ' 69' ' ' HIS . 0.5 OUTLIER -86.78 135.43 33.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -152.76 162.72 25.68 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.257 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.51 6.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.06 170.81 5.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.24 9.86 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.424 ' O ' ' CB ' ' A' ' 84' ' ' ARG . 18.0 Cg_endo -75.05 149.9 37.14 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.436 1.756 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.424 ' CB ' ' O ' ' A' ' 83' ' ' PRO . 4.3 mtp180 163.69 142.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.421 1.076 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -111.91 152.17 44.05 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -58.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.534 1.807 . . . . 0.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 178.21 162.81 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.9 86.14 7.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.0 93.72 9.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 27.0 tp -89.82 106.57 18.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.082 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -44.82 114.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -161.28 156.93 24.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.97 168.63 34.89 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.0 tp -137.37 142.71 38.5 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.735 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 167.04 27.93 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.787 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 115.14 4.2 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 0.0 111.003 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -130.1 72.28 0.48 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 m -128.06 126.29 40.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 0.0 110.383 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.18 134.05 21.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -177.45 90.22 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 173.48 14.42 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.27 163.39 39.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 27.5 p -139.22 168.24 20.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.003 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -152.6 112.89 4.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 0.731 . . . . 0.0 110.005 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 t -106.08 133.77 50.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.993 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.84 176.06 0.05 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.5 p -149.36 133.39 17.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 0.755 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 m -47.58 113.17 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.973 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.3 91.83 2.21 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.77 118.59 0.97 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.429 HG21 ' CA ' ' A' ' 57' ' ' PRO . 21.3 t -117.35 128.53 74.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.764 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.69 147.53 46.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.8 t -130.5 120.27 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -73.93 116.88 15.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.3 t -97.95 137.74 24.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.59 145.29 51.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.38 67.66 1.85 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.491 HD11 ' CD1' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -132.04 123.53 18.99 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 144.3 30.2 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -23.18 13.97 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.91 -20.38 8.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.1 t -98.98 124.21 46.34 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 178.36 7.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.523 1.801 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.3 OUTLIER -75.35 -43.14 52.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 22' ' ' ASP . 7.6 tt0 -37.79 -54.11 1.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -67.33 -53.77 26.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.574 HD21 ' CZ2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -38.79 -38.5 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 30' ' ' GLU . 68.3 p -86.11 -50.17 7.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.501 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -42.99 -29.46 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -82.9 -63.09 1.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 23.0 m-85 -59.42 -13.84 10.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 26' ' ' THR . 19.8 mt-10 -89.64 -43.03 11.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.78 135.15 57.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.7 ptt-85 -86.27 -26.6 24.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.355 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -78.2 -42.0 32.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.34 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -64.27 -49.92 69.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.3 p -113.48 -76.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.023 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.26 49.07 0.2 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.45 -109.45 2.11 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.96 -155.14 9.16 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 151.42 39.52 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 t -104.35 119.71 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -53.49 57.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 43' ' ' TRP . 7.7 t -155.41 178.58 10.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.946 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.574 ' CZ2' HD21 ' A' ' 25' ' ' LEU . 9.3 t-105 -151.08 141.07 22.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.027 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -136.11 97.46 3.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.368 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.5 ' HB2' ' CZ2' ' A' ' 43' ' ' TRP . 17.4 ttm-85 -77.64 121.72 24.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' CYS . 20.8 mt -117.92 118.24 31.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.68 -88.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 46' ' ' LEU . 5.4 p -113.46 -49.63 2.89 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.54 -122.58 0.87 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.96 151.31 7.01 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -87.51 126.83 41.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.402 HD13 ' CD2' ' A' ' 29' ' ' PHE . 2.5 tt -109.46 149.0 30.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.4 m -118.27 132.2 56.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.4 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.526 ' CE2' HG23 ' A' ' 63' ' ' VAL . 17.4 m-85 -108.4 131.13 55.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.0 ttt-85 -40.3 -62.3 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.262 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -104.55 162.01 21.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.429 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.1 Cg_endo -75.06 -47.25 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.65 -41.81 98.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -59.44 -24.95 63.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.467 ' HB1' ' CG ' ' A' ' 54' ' ' PHE . . . -83.91 -50.6 7.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -57.28 -35.38 69.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -20.05 63.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.302 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.526 HG23 ' CE2' ' A' ' 54' ' ' PHE . 19.9 t -94.0 -42.8 13.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 66' ' ' GLN . 9.7 mt -61.94 -40.07 94.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.53 -30.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' LEU . 10.6 tt0 -92.79 112.28 24.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.09 0.99 19.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.417 ' O ' ' CD2' ' A' ' 69' ' ' HIS . 10.5 t70 -118.83 145.19 45.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.554 ' CD2' HD21 ' A' ' 78' ' ' LEU . 92.1 m-70 -156.88 122.27 4.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.613 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -121.71 120.13 33.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -144.37 101.34 3.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.533 ' CD2' ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER 69.54 62.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.573 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 39.74 85.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 171.53 126.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.748 . . . . 0.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -84.45 92.81 8.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.443 HD11 ' N ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -71.08 147.42 48.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 m -109.27 99.42 8.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.016 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.554 HD21 ' CD2' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -86.66 138.6 31.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 12' ' ' GLU . 58.2 mtt-85 -152.49 158.15 33.44 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 119.5 5.66 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.496 1.787 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.25 168.63 10.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 149.42 36.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.504 1.792 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 55.56 4.0 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.468 1.773 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -155.72 116.69 3.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.44 159.69 15.94 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 158.2 42.11 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.493 1.786 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -140.86 135.35 31.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.69 144.82 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.32 82.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.66 104.99 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.403 ' N ' HD22 ' A' ' 91' ' ' LEU . 2.3 mm? -48.1 115.67 1.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -75.55 149.04 38.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 139.2 102.05 0.53 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.09 153.57 44.58 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 166.36 29.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 149.31 36.29 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.536 1.809 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -115.34 138.64 14.86 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.0 t -169.09 131.47 1.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.759 . . . . 0.0 110.368 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.63 130.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.963 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -142.54 82.91 0.22 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 174.66 12.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.541 1.811 . . . . 0.0 111.063 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 63.9 m -153.68 146.78 24.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.0 t -158.76 171.58 19.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 110.012 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 m -108.87 -59.84 1.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -50.25 144.88 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.05 -70.68 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.13 175.16 9.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.04 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.6 t -88.75 -68.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.95 149.69 6.4 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 170.58 -95.43 0.11 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.471 HG11 ' CB ' ' A' ' 60' ' ' ALA . 9.4 t -121.07 127.67 75.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 0.784 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.47 144.4 44.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.244 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.2 t -130.41 128.97 64.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -86.51 107.52 18.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.451 ' CG2' HD11 ' A' ' 78' ' ' LEU . 65.5 t -88.51 149.53 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.411 ' HB2' ' CB ' ' A' ' 77' ' ' SER . 13.7 mmt180 -132.45 169.94 15.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 49.97 69.63 1.01 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.463 ' CD1' HD13 ' A' ' 25' ' ' LEU . 12.6 tp -124.73 114.37 26.88 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 154.67 42.72 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -37.33 2.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.78 -44.59 19.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.6 t -78.07 120.8 82.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.092 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.456 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.3 Cg_endo -75.0 156.11 42.96 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.502 1.79 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.572 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 0.1 OUTLIER -59.42 -33.41 71.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -45.73 -54.39 7.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.465 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -64.21 -52.08 60.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.521 ' CD2' ' CZ2' ' A' ' 43' ' ' TRP . 3.0 tp -39.85 -44.2 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 30' ' ' GLU . 16.4 p -80.18 -43.76 20.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.499 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -52.46 -36.64 55.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.56 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 32.4 t80 -73.61 -53.62 10.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CZ ' HD12 ' A' ' 78' ' ' LEU . 13.4 m-85 -62.93 -26.29 68.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 26' ' ' THR . 12.8 mt-10 -77.59 -44.73 27.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.425 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -65.39 146.24 55.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -80.51 -62.2 1.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.348 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.54 -50.33 7.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.56 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 9.4 mmm180 -48.32 -67.36 0.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 110.276 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.85 -73.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.993 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 119.24 75.53 0.47 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.54 -83.35 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 172.03 -160.08 31.54 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.415 ' HG2' ' CD ' ' A' ' 55' ' ' ARG . 18.4 Cg_endo -74.97 158.4 42.34 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.7 t -106.74 125.9 62.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -50.74 34.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.9 t -148.61 177.89 9.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.584 ' CE3' HD11 ' A' ' 52' ' ' LEU . 16.4 t-105 -151.04 137.94 19.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 107.984 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -134.53 102.07 5.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.21 117.53 17.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.7 mt -115.31 -170.41 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.78 109.56 2.61 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.5 t 49.76 71.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 136.97 -127.85 4.19 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.35 149.32 6.08 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.4 t -86.52 124.47 40.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 0.774 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.584 HD11 ' CE3' ' A' ' 43' ' ' TRP . 1.5 tt -109.78 142.98 40.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.5 m -108.14 120.36 42.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.555 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 13.9 m-85 -93.8 128.12 39.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.415 ' CD ' ' HG2' ' A' ' 39' ' ' PRO . 31.3 ttt180 -38.38 -60.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -106.77 161.91 21.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.443 ' CA ' HG22 ' A' ' 9' ' ' VAL . 18.3 Cg_endo -75.01 -47.29 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.53 96.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -56.67 -36.49 69.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.555 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . . . -77.31 -49.2 15.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -48.97 -51.03 32.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.7 ttt85 -46.15 -48.26 17.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.554 HG23 ' CE2' ' A' ' 54' ' ' PHE . 23.5 t -60.17 -39.3 80.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.441 ' C ' ' N ' ' A' ' 66' ' ' GLN . 16.0 mt -65.87 -46.01 79.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.84 -30.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.441 ' N ' ' C ' ' A' ' 64' ' ' LEU . 1.9 tt0 -99.56 110.29 22.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.37 1.88 20.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.588 ' O ' ' CD2' ' A' ' 69' ' ' HIS . 11.2 t70 -118.77 140.85 49.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 92.1 m-70 -161.77 135.17 6.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 109.596 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 71' ' ' LEU . 1.8 tt0 -129.57 139.34 51.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 25' ' ' LEU . 3.8 tp -147.74 104.76 3.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 51.43 70.81 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.602 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 46.09 88.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 171.2 143.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -102.73 96.52 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.424 ' N ' HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -78.27 137.55 38.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.411 ' CB ' ' HB2' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -108.76 107.17 17.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.001 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.572 HD12 ' CZ ' ' A' ' 29' ' ' PHE . 1.5 mm? -88.19 134.11 33.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -152.64 162.98 24.98 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 118.02 5.11 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.99 165.43 26.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 155.02 42.94 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.556 1.819 . . . . 0.0 111.041 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 149.32 36.46 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.47 -59.94 2.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -125.46 164.17 34.04 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.62 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.538 1.809 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.54 108.28 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -116.37 98.07 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.71 90.24 3.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.16 77.38 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -48.9 137.11 13.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -170.09 160.85 8.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 136.32 -176.82 20.06 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.459 1.1 . . . . 0.0 111.05 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.469 ' CD2' ' HD2' ' A' ' 95' ' ' PRO . 0.1 OUTLIER -169.11 144.24 2.6 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.446 0.733 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.469 ' HD2' ' CD2' ' A' ' 94' ' ' LEU . 18.2 Cg_endo -74.99 168.87 23.88 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.499 1.789 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.99 31.03 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.523 1.802 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -142.76 96.03 0.19 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.9 t -159.5 119.84 3.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 110.344 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.45 147.03 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.038 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 168.33 78.96 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.56 22.36 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.515 1.797 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.56 110.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.5 t -173.47 136.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -153.05 105.7 2.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 0.752 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.82 151.22 21.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.01 119.54 1.78 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.4 t 45.64 87.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.757 . . . . 0.0 110.021 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.73 108.19 20.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.32 117.51 0.88 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -125.8 -131.01 3.52 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.436 HG21 ' CA ' ' A' ' 57' ' ' PRO . 4.2 t -128.55 130.62 69.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.67 145.29 44.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 84.8 t -128.91 120.11 51.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 79' ' ' ARG . 67.0 tt0 -74.43 108.77 7.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.473 ' CG2' HD12 ' A' ' 78' ' ' LEU . 98.6 t -89.73 132.5 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 77' ' ' SER . 1.0 OUTLIER -131.9 146.99 52.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.414 ' N ' ' HG3' ' A' ' 14' ' ' ARG . . . 73.95 69.99 1.31 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.469 HD13 ' CD1' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -134.59 126.1 17.93 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 151.59 39.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.565 1.824 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -43.53 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.461 1.769 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.26 -30.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.4 t -88.16 122.19 70.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.477 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.2 Cg_endo -75.01 -178.3 4.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' GLU . 28.7 m-20 -78.53 -46.32 19.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.483 ' CG ' HD21 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -35.16 -49.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -68.32 -52.8 29.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.575 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -39.87 -39.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.5 p -84.45 -50.8 7.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.379 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.507 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -41.85 -39.32 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.492 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -72.17 -69.66 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 17.9 m-85 -47.28 -42.13 20.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -67.65 -44.29 78.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -59.68 134.47 57.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.6 1.188 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -80.23 -48.36 13.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -35.45 15.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -96.2 -30.35 13.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.61 86.87 1.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.77 64.89 0.31 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.08 -66.83 0.37 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.81 -164.46 34.18 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 178.03 7.81 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.6 t -122.02 120.9 62.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.433 ' CD1' ' HA ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -64.69 -48.16 75.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.6 t -158.55 174.85 14.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.981 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.553 ' CZ2' HD22 ' A' ' 25' ' ' LEU . 10.8 t-105 -147.41 135.23 21.16 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -128.51 111.74 13.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -91.18 113.39 25.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -109.78 42.56 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.82 132.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.5 m 43.22 55.25 4.73 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.65 -142.81 14.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 137.63 177.56 15.25 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.2 t -100.83 128.28 53.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.792 . . . . 0.0 109.252 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.0 tt -110.92 150.53 29.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.5 m -118.68 126.45 51.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.417 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.533 ' CE2' HG22 ' A' ' 63' ' ' VAL . 16.7 m-85 -100.53 136.51 40.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 32.7 ttt180 -45.34 -60.11 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -107.9 161.17 24.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.436 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.4 Cg_endo -74.98 -46.71 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.556 1.819 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.84 97.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.65 -23.55 64.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.89 -37.65 18.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.22 -38.48 88.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.32 -18.0 34.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.533 HG22 ' CE2' ' A' ' 54' ' ' PHE . 16.4 t -93.0 -49.3 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.44 ' C ' ' N ' ' A' ' 66' ' ' GLN . 10.5 mt -57.53 -39.63 77.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.56 -30.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.459 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 5.0 tt0 -91.56 115.85 28.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.6 3.46 21.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -129.92 150.16 51.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.242 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.573 ' CD2' HD22 ' A' ' 78' ' ' LEU . 53.0 m-70 -153.06 140.21 19.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.568 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -128.08 123.52 34.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.463 ' CD2' HD13 ' A' ' 25' ' ' LEU . 18.7 tp -144.05 106.33 4.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.236 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.455 ' CD2' ' CD1' ' A' ' 24' ' ' LEU . 0.4 OUTLIER 54.71 60.53 3.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.614 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.444 ' O ' ' CB ' ' A' ' 74' ' ' ALA . . . 47.69 90.54 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . 167.02 143.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.408 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 1.8 pt20 -95.09 107.67 19.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.36 122.07 32.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 14' ' ' ARG . 7.3 m -90.1 101.93 14.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.573 HD22 ' CD2' ' A' ' 69' ' ' HIS . 0.5 OUTLIER -86.69 137.26 32.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 12' ' ' GLU . 16.2 mmt85 -148.24 158.83 40.77 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 112.82 3.65 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.58 170.57 5.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 115.93 4.42 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 154.59 42.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.3 128.28 23.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -139.97 144.82 39.79 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 161.18 39.13 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.521 1.801 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -101.53 -62.22 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 52.91 102.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.408 ' CD2' ' N ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -172.66 -177.51 1.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -174.72 139.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' A' ' 91' ' ' LEU . 0.4 OUTLIER -60.37 112.48 1.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 64.47 144.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -104.12 82.68 0.38 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -162.23 150.86 12.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 169.33 22.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.445 1.761 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 171.91 17.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.435 1.755 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 173.11 105.62 0.19 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.7 p -127.71 176.15 7.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 110.4 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 82.5 p -165.36 119.6 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -161.12 130.92 2.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.135 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 178.66 6.96 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 59.8 p -126.5 164.06 22.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.976 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.29 169.82 16.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.14 -59.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.977 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.19 -57.27 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.11 164.88 0.8 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.448 1.092 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m -150.82 -55.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.19 146.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 110.011 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.6 99.38 0.46 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.48 -166.08 1.8 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.475 ' CG2' ' HB3' ' A' ' 57' ' ' PRO . 2.2 t -139.27 136.68 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.46 145.58 47.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.0 t -131.07 129.94 63.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 79' ' ' ARG . 40.9 tt0 -87.74 106.4 18.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.457 ' CG2' HD11 ' A' ' 78' ' ' LEU . 78.8 t -91.56 145.83 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.551 ' HG2' ' CB ' ' A' ' 77' ' ' SER . 1.4 ptm180 -134.82 154.6 51.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.352 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.493 ' O ' ' CD1' ' A' ' 76' ' ' LEU . . . 59.13 72.31 0.63 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.469 ' CD2' HD11 ' A' ' 25' ' ' LEU . 3.6 tp -129.39 116.6 18.61 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 151.2 39.09 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -37.65 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.797 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.32 -34.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.2 t -84.3 120.76 74.9 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.408 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.4 Cg_endo -74.99 149.24 36.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.472 1.775 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -53.01 -34.37 56.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -45.01 -54.83 6.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.468 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -65.21 -51.36 61.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.553 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -40.07 -41.03 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.9 p -84.08 -47.32 11.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.365 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.507 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.41 -36.17 21.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.461 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 28.5 t80 -75.08 -58.38 3.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.56 ' CZ ' HD12 ' A' ' 78' ' ' LEU . 10.2 m-85 -57.49 -29.94 64.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -75.58 -38.04 59.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.436 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -65.28 146.26 55.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.46 -53.52 5.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 33' ' ' ARG . 12.3 mtp-105 -56.44 -45.72 80.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.249 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 2.5 mmp_? -51.19 -63.37 1.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 p -118.02 -64.87 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.21 54.01 0.14 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.3 -149.46 7.97 Favored Glycine 0 CA--C 1.529 0.933 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.66 -147.75 4.92 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.96 6.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.5 t -81.71 139.42 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.33 -56.6 4.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.69 179.22 8.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.553 ' CE3' HD11 ' A' ' 52' ' ' LEU . 10.3 t-105 -149.5 133.82 17.4 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.22 97.43 5.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.546 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 5.1 ttp85 -76.31 124.75 28.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.2 mt -121.73 -168.94 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.246 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.97 111.63 4.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.437 1.086 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t 47.79 60.79 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 147.01 -136.73 6.28 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 132.87 153.04 7.11 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 20.6 t -90.37 130.53 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.562 HD23 ' CE1' ' A' ' 54' ' ' PHE . 1.5 tt -110.88 154.27 24.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.9 m -117.35 123.14 45.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.401 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.562 ' CE1' HD23 ' A' ' 52' ' ' LEU . 13.1 m-85 -102.95 108.8 20.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 54' ' ' PHE . 61.4 ttt180 -38.51 -42.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.24 130.58 24.14 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.475 ' HB3' ' CG2' ' A' ' 9' ' ' VAL . 18.5 Cg_endo -74.94 -34.5 3.85 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.23 98.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -72.3 -34.48 68.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.483 ' HB2' ' CG ' ' A' ' 54' ' ' PHE . . . -64.34 -43.39 94.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -52.5 -52.72 53.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.73 -25.66 19.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.456 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 17.4 t -82.74 -39.9 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.423 ' C ' ' N ' ' A' ' 66' ' ' GLN . 12.1 mt -70.84 -40.86 72.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -38.7 -33.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.423 ' N ' ' C ' ' A' ' 64' ' ' LEU . 4.4 tt0 -98.12 111.89 24.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.81 0.31 21.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.588 ' O ' ' CD2' ' A' ' 69' ' ' HIS . 2.8 t70 -121.34 141.89 50.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 68' ' ' ASP . 79.5 m-70 -157.86 129.68 6.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.623 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.94 132.34 56.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.411 ' CD2' ' HA ' ' A' ' 25' ' ' LEU . 4.6 tp -148.49 103.76 3.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.46 ' CD2' HD12 ' A' ' 24' ' ' LEU . 0.8 OUTLIER 60.76 71.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.6 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 38.65 85.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 174.23 146.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.288 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -100.47 97.95 8.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -88.92 124.73 34.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.551 ' CB ' ' HG2' ' A' ' 14' ' ' ARG . 0.5 OUTLIER -99.79 107.08 19.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.567 HD22 ' CD2' ' A' ' 69' ' ' HIS . 1.9 mm? -86.57 132.43 33.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 12' ' ' GLU . 4.0 mmp_? -147.75 159.49 40.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 114.9 4.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.405 ' CB ' ' HB2' ' A' ' 12' ' ' GLU . . . -67.08 168.91 9.54 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 150.45 37.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.532 1.806 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 167.11 27.79 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.47 1.773 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.17 95.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -44.21 150.98 0.58 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 154.21 42.21 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.536 1.809 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -140.91 60.06 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.8 ttt-85 -79.6 109.87 14.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -163.73 71.42 0.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -171.84 113.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -52.86 162.52 0.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.94 164.67 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 158.81 110.52 0.28 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.18 151.95 54.91 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 0.781 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 172.05 17.12 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.468 1.772 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.1 6.41 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.521 1.8 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -162.83 157.86 29.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.4 t -165.8 153.39 10.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 110.381 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.9 p -176.53 168.01 2.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.123 . . . . 0.0 110.039 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -170.57 77.58 0.1 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.151 . . . . 0.0 110.959 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -179.94 5.5 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.47 1.774 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.7 t -125.81 151.36 46.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.95 152.03 48.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.057 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.536 1.148 . . . . 0.0 111.011 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.666 HG21 ' HA ' ' A' ' 57' ' ' PRO . 28.6 t . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.56 144.2 51.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 79' ' ' ARG . 60.6 t -127.67 125.67 65.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.457 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 6.3 tm-20 -74.31 121.26 21.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.976 HG22 HD13 ' A' ' 78' ' ' LEU . 81.9 t -101.95 133.54 45.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.21 146.91 51.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.48 ' O ' HD13 ' A' ' 76' ' ' LEU . . . 70.78 69.42 1.39 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.695 HD13 ' CD1' ' A' ' 25' ' ' LEU . 1.2 tp -133.36 121.74 16.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.553 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.2 Cg_endo -74.95 147.69 34.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.99 -26.74 10.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.777 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.38 -20.12 11.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.242 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.403 HG22 ' HB3' ' A' ' 72' ' ' HIS . 20.8 t -100.4 123.14 47.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 155.35 42.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.502 1.79 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.584 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -58.36 -36.3 73.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.514 ' HG2' HD23 ' A' ' 24' ' ' LEU . 12.9 tt0 -42.97 -54.13 4.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.733 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -65.69 -47.49 75.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.751 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -42.12 -46.65 4.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.7 p -77.09 -49.47 15.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.389 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.789 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -45.25 -45.2 11.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.511 ' CB ' HD13 ' A' ' 71' ' ' LEU . 6.0 t80 -62.4 -62.61 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.589 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 23.3 m-85 -54.32 -40.81 68.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.422 ' OE2' ' HA ' ' A' ' 39' ' ' PRO . 6.5 mt-10 -65.22 -29.31 70.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.68 120.53 16.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.12 -14.86 58.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -82.97 -42.53 17.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.47 -40.63 57.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.03 -74.86 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.042 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.09 39.54 0.48 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.44 ' CA ' ' OD1' ' A' ' 59' ' ' ASP . . . -106.77 -120.71 4.65 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.28 -145.24 4.48 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.422 ' HA ' ' OE2' ' A' ' 30' ' ' GLU . 18.3 Cg_endo -74.97 143.13 28.79 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.784 HG13 ' O ' ' A' ' 53' ' ' THR . 75.8 t -102.51 130.65 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -64.45 -58.51 6.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.253 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.4 t -153.67 178.6 9.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.83 ' CE3' HD12 ' A' ' 52' ' ' LEU . 7.7 t-105 -150.55 136.6 18.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 107.987 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -125.49 97.69 5.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.561 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 38.9 ttp85 -75.71 128.22 34.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.9 mt -116.66 -169.28 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.59 -92.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.5 m -101.66 62.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 142.27 -129.94 4.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.57 157.86 7.31 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 20.2 t -86.97 127.62 40.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.83 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.6 tt -109.91 150.58 28.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.784 ' O ' HG13 ' A' ' 40' ' ' VAL . 84.9 m -119.75 130.13 54.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.381 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.772 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 10.7 m-85 -103.91 121.29 42.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.478 ' HA ' HD12 ' A' ' 41' ' ' LEU . 5.6 ttt85 -38.6 -56.85 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -98.22 150.68 36.98 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.078 . . . . 0.0 110.283 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.666 ' HA ' HG21 ' A' ' 9' ' ' VAL . 18.4 Cg_endo -75.05 -51.0 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.786 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.19 81.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.485 ' O ' HG23 ' A' ' 63' ' ' VAL . 1.0 OUTLIER -53.79 -44.82 70.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.772 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -57.14 -37.87 72.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -75.65 -35.56 60.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -25.4 36.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.67 HG21 ' CE2' ' A' ' 54' ' ' PHE . 18.2 t -87.76 -51.05 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 64' ' ' LEU . 11.3 mt -52.44 -37.78 57.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.32 -40.15 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.596 ' O ' ' CE1' ' A' ' 69' ' ' HIS . 2.3 tt0 -83.64 120.33 25.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.18 4.15 21.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -124.7 139.13 54.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.602 ' CD2' HD23 ' A' ' 78' ' ' LEU . 20.5 m-70 -148.26 124.78 11.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.62 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.55 134.61 52.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.751 ' CD2' HD12 ' A' ' 25' ' ' LEU . 1.7 tp -152.94 109.21 3.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.501 ' NE2' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER 57.06 68.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.592 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.551 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 37.85 87.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 172.55 149.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 0.793 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -101.15 106.46 17.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.745 HD22 ' N ' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -93.58 125.78 38.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.3 m -97.61 100.16 11.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.976 HD13 HG22 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -86.64 145.3 26.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.526 ' O ' HG13 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -152.86 163.23 24.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 115.17 4.21 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.457 ' HB2' ' N ' ' A' ' 12' ' ' GLU . . . -67.42 153.84 94.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 111.036 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.706 HG11 ' HA ' ' A' ' 57' ' ' PRO . 2.3 t . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.22 150.63 49.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.423 HG13 HD21 ' A' ' 64' ' ' LEU . 94.5 t -141.31 118.24 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -73.6 113.37 10.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.993 HG22 HD13 ' A' ' 78' ' ' LEU . 81.8 t -95.47 133.5 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.3 OUTLIER -133.78 147.02 51.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.95 67.4 1.74 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.765 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.8 OUTLIER -134.1 127.64 19.18 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.765 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.03 150.3 37.82 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.439 1.757 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -43.31 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.53 -39.13 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.472 HG13 HD12 ' A' ' 24' ' ' LEU . 61.8 t -77.21 124.41 87.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.499 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.1 Cg_endo -75.03 -177.99 3.86 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 23' ' ' GLU . 4.2 p-10 -80.48 -42.93 21.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 22' ' ' ASP . 1.3 pm0 -37.46 -50.06 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.689 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -67.09 -52.77 37.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.799 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -39.68 -37.68 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.0 p -87.06 -49.12 7.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.363 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.772 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -45.93 -30.41 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.411 ' CB ' HD13 ' A' ' 71' ' ' LEU . 43.2 t80 -83.08 -64.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.655 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 12.2 m-85 -51.81 -38.03 54.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -66.62 -46.32 76.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.34 138.09 56.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -88.02 -35.4 17.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.26 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.3 mtm-85 -70.61 -42.9 70.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -63.5 -43.41 97.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.478 ' OG ' HG13 ' A' ' 63' ' ' VAL . 1.2 t -124.44 -78.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.77 50.91 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.34 -149.17 7.11 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.24 -154.05 7.54 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 131.82 14.72 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.427 ' CG1' HD21 ' A' ' 52' ' ' LEU . 37.8 t -83.57 126.74 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.405 HD23 ' HG3' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -64.46 -56.0 17.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.85 179.61 8.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.976 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.65 ' CE3' HD12 ' A' ' 52' ' ' LEU . 10.1 t-105 -147.19 128.89 15.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 108.044 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -120.46 100.59 7.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ttp85 -83.69 113.47 20.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 30.2 mt -88.02 -97.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.36 -90.77 1.61 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 63.0 m -91.08 44.59 1.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 151.71 -111.87 0.51 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.55 170.88 12.79 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.5 t -97.22 129.58 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.65 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.8 tt -109.68 153.37 24.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 9' ' ' VAL . 55.9 m -117.42 123.18 45.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.631 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 16.3 m-85 -101.84 113.15 26.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.405 ' HG3' HD23 ' A' ' 41' ' ' LEU . 54.2 ttt-85 -38.82 -49.98 1.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 0.9 OUTLIER -108.07 132.01 21.35 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.706 ' HA ' HG11 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.08 -34.57 3.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.565 1.824 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.58 -44.75 96.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.898 ' O ' HG23 ' A' ' 63' ' ' VAL . 1.4 m-20 -70.66 -34.98 72.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.631 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -63.81 -36.29 83.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -65.88 -51.77 55.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -22.98 5.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.252 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 59' ' ' ASP . 19.5 t -85.74 -44.63 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' A' ' 64' ' ' LEU . 11.6 mt -62.51 -42.18 99.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -38.99 -30.88 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.449 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 1.3 tt0 -93.02 114.53 27.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.86 2.2 20.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -121.5 142.49 50.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.747 ' CD2' HD23 ' A' ' 78' ' ' LEU . 64.5 m-70 -148.11 127.01 12.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.645 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.02 130.36 55.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.856 ' HB3' HD21 ' A' ' 76' ' ' LEU . 42.8 tp -150.24 95.66 2.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.532 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.6 OUTLIER 58.12 60.03 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.579 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.487 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 52.54 82.33 0.04 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.52 1.137 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 175.76 140.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 0.788 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -98.37 95.72 7.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.856 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -77.59 124.83 28.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' ARG . 7.0 m -89.22 101.83 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.993 HD13 HG22 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -86.71 141.32 28.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 12' ' ' GLU . 80.3 mtt180 -152.63 158.01 33.34 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 119.72 5.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.79 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.18 154.26 93.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.567 1.825 . . . . 0.0 110.98 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.65 ' O ' HG23 ' A' ' 53' ' ' THR . 2.1 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -133.13 150.13 52.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.696 HG13 HD21 ' A' ' 64' ' ' LEU . 87.0 t -141.26 116.65 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.91 115.59 15.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.344 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.943 HG22 HD13 ' A' ' 78' ' ' LEU . 71.6 t -95.74 143.09 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.94 149.22 52.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.3 66.93 2.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.662 HD22 HD11 ' A' ' 25' ' ' LEU . 3.6 tp -128.21 117.4 20.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.542 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.1 Cg_endo -75.04 147.72 34.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -74.98 -37.15 2.16 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.462 1.77 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.37 -28.48 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' A' ' 18' ' ' PRO . 21.5 t -87.57 123.61 69.16 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 153.48 42.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -57.36 -32.76 67.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -46.09 -54.67 8.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.683 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -65.24 -49.6 69.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.674 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -40.05 -44.59 1.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.432 ' H ' ' HG1' ' A' ' 26' ' ' THR . 66.6 p -80.78 -51.75 8.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.463 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.781 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -43.06 -33.13 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -79.32 -67.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.492 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 13.6 m-85 -49.75 -30.97 10.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 111.044 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -71.83 -45.92 59.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.341 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -64.33 143.38 57.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -30.49 17.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -74.41 -32.24 62.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.348 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -74.14 -39.11 63.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.321 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.99 -66.45 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 110.037 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.86 52.11 0.21 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.75 -140.42 5.6 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.02 -151.67 5.53 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 133.44 16.57 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.53 1.805 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.45 ' CG1' HD21 ' A' ' 52' ' ' LEU . 45.5 t -90.13 128.19 42.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.402 HD23 ' HG3' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -67.54 -55.78 12.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.87 179.28 9.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.608 ' CE3' HD12 ' A' ' 52' ' ' LEU . 7.4 t-105 -145.47 111.04 5.4 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.453 ' HG2' HD21 ' A' ' 46' ' ' LEU . 1.4 tt0 -98.61 102.06 13.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.82 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -82.88 122.59 28.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.82 HD22 ' C ' ' A' ' 45' ' ' ARG . 3.3 mm? -126.41 91.69 3.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.02 -117.28 8.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.57 1.169 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.5 m -50.71 -79.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -102.92 -106.47 3.05 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.98 177.26 17.8 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.6 t -96.06 130.67 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.608 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.2 tt -109.36 153.49 23.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 9' ' ' VAL . 97.1 m -117.88 126.69 52.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.421 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.587 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 26.0 m-85 -106.83 113.73 27.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 54' ' ' PHE . 51.5 ttt180 -38.2 -54.55 1.38 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.97 130.32 23.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.569 ' CB ' HG21 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.01 -33.66 4.4 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.544 1.813 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.13 -46.62 89.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -40.09 77.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.587 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -57.35 -40.86 78.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -52.56 -51.59 58.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -32.98 50.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 38.7 t -74.95 -34.23 32.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.696 HD21 HG13 ' A' ' 11' ' ' VAL . 13.1 mt -75.36 -47.32 28.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -39.25 -31.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.429 ' N ' ' C ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -97.32 104.99 17.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.31 0.68 18.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -116.98 135.74 53.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.248 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.874 ' CD2' HD23 ' A' ' 78' ' ' LEU . 72.1 m-70 -151.15 144.05 24.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.567 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -128.21 130.3 47.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.674 ' CD2' HD12 ' A' ' 25' ' ' LEU . 13.8 tp -149.5 99.38 2.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.232 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.525 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.5 OUTLIER 59.49 68.59 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.621 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.572 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 40.89 87.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 171.58 146.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 0.794 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.47 ' C ' HD13 ' A' ' 76' ' ' LEU . 11.0 pt20 -99.42 107.88 20.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.738 ' H ' HD22 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -94.23 116.93 29.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.8 112.99 23.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.943 HD13 HG22 ' A' ' 13' ' ' VAL . 1.5 mm? -94.14 137.66 33.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -152.65 160.72 30.76 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 117.38 4.88 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.12 155.83 89.46 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 111.027 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.566 HG11 ' HA ' ' A' ' 57' ' ' PRO . 22.1 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.82 148.44 50.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 88.1 t -131.38 119.07 42.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.456 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 18.2 tt0 -75.53 111.43 10.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.027 HG22 HD13 ' A' ' 78' ' ' LEU . 75.5 t -94.37 134.42 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -134.2 146.49 50.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.74 67.54 1.72 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.642 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.7 OUTLIER -133.01 125.03 18.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.642 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.4 Cg_endo -74.95 147.52 34.28 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.1 Cg_endo -75.07 -29.36 8.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.4 -26.68 13.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.437 HG11 ' HG ' ' A' ' 71' ' ' LEU . 24.3 t -91.83 122.47 65.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.327 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.454 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.2 Cg_endo -75.0 162.29 37.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -63.26 -39.54 94.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.443 ' HG2' HD23 ' A' ' 24' ' ' LEU . 6.1 tt0 -40.4 -52.78 2.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.724 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -66.93 -49.17 66.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.766 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -40.15 -43.94 1.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 49.5 p -81.04 -52.22 7.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.417 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.778 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -42.03 -33.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -79.66 -63.37 1.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.521 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 15.1 m-85 -53.98 -49.54 68.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -50.44 -51.61 45.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.239 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.449 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 3.9 t-20 -56.35 144.79 29.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.25 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -83.1 -57.93 3.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -47.47 -47.38 27.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.449 ' CG ' ' HB3' ' A' ' 31' ' ' ASN . 18.0 mmm180 -53.21 -63.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.7 p -116.61 -68.11 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 130.01 59.48 0.1 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.14 -148.76 6.49 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.71 -149.45 5.36 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 97.02 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.553 1.818 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.2 t -50.24 122.86 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -56.83 16.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.0 179.04 9.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.844 ' CE3' HD12 ' A' ' 52' ' ' LEU . 8.0 t-105 -151.21 111.66 4.18 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -99.86 97.25 8.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.503 ' HG3' ' CZ2' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -73.57 131.46 41.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.554 HD12 ' HA2' ' A' ' 50' ' ' GLY . 81.0 mt -113.9 -169.54 1.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 46' ' ' LEU . . . -35.45 -65.93 0.41 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 m -100.65 -75.43 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.69 -107.51 1.06 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.554 ' HA2' HD12 ' A' ' 46' ' ' LEU . . . 141.97 170.46 12.52 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.525 HG23 HD11 ' A' ' 46' ' ' LEU . 2.9 t -92.92 127.29 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.844 HD12 ' CE3' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -109.69 156.41 20.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.7 m -125.3 133.8 52.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.391 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.758 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 14.5 m-85 -111.53 119.03 37.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -39.04 -55.49 1.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -100.08 150.61 37.04 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.566 ' HA ' HG11 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.06 -51.24 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.524 1.802 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.76 -42.45 93.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.645 ' O ' HG23 ' A' ' 63' ' ' VAL . 45.1 m-20 -59.36 -30.01 68.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.758 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -78.89 -43.06 25.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.371 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.3 -43.25 99.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.351 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -56.92 -17.55 10.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 59' ' ' ASP . 56.6 t -91.51 -44.72 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.496 ' HA ' HD23 ' A' ' 64' ' ' LEU . 10.6 mt -61.98 -38.08 87.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.81 -30.19 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.454 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 1.5 tt0 -92.5 112.79 24.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.88 2.37 20.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -129.06 149.71 50.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.356 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.663 ' CD2' HD23 ' A' ' 78' ' ' LEU . 84.3 m-70 -153.98 137.21 15.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.624 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -124.41 121.96 36.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.766 ' CD2' HD12 ' A' ' 25' ' ' LEU . 12.5 tp -143.93 100.02 3.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.456 ' NE2' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER 64.62 54.46 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.571 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 50.69 77.61 0.12 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -177.92 137.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.324 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -91.32 100.57 13.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.659 ' H ' HD22 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -80.54 130.24 35.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 m -95.64 99.83 11.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 1.027 HD13 HG22 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -86.84 143.11 27.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -152.75 161.09 30.09 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 113.56 3.82 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.514 1.797 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.456 ' HB2' ' N ' ' A' ' 12' ' ' GLU . . . -66.84 160.67 67.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.489 HG21 ' CA ' ' A' ' 57' ' ' PRO . 6.1 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -126.29 144.31 50.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.607 HG13 ' O ' ' A' ' 79' ' ' ARG . 96.2 t -126.77 124.69 65.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.485 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 4.7 tm-20 -75.87 117.66 17.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.9 HG22 HD13 ' A' ' 78' ' ' LEU . 91.1 t -101.13 129.79 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -129.8 145.5 51.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.418 ' O ' HD13 ' A' ' 76' ' ' LEU . . . 77.44 61.25 2.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.543 1.152 . . . . 0.0 111.051 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.615 HD13 ' CD1' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -132.9 123.02 17.9 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 109.334 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.517 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.4 Cg_endo -75.0 149.17 36.27 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.799 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.5 Cg_endo -74.91 -29.87 7.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.515 1.797 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.99 -30.85 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t -87.39 128.31 55.54 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.4 24.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -76.06 -12.52 60.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.15 -46.87 75.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.34 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.656 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -72.13 -51.61 20.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.615 ' CD1' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -39.14 -38.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' GLU . 29.5 p -85.6 -50.89 6.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.357 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.771 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -44.05 -34.38 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.472 ' CB ' HD13 ' A' ' 71' ' ' LEU . 22.6 t80 -76.97 -62.22 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.612 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 15.7 m-85 -57.38 -17.76 14.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' THR . 2.0 mt-10 -86.5 -43.18 12.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.47 124.46 23.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -24.3 54.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -48.43 17.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -66.97 -49.32 65.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' A' ' 36' ' ' GLY . 0.4 OUTLIER -102.95 -82.25 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.404 ' N ' ' OG ' ' A' ' 35' ' ' SER . . . 123.91 61.42 0.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.437 ' HA3' ' CG2' ' A' ' 63' ' ' VAL . . . -142.07 -109.91 0.77 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.76 -153.56 7.13 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 156.16 42.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.558 1.82 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 71.8 t -110.99 125.06 68.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -66.44 -55.08 17.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 t -157.26 178.92 9.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.627 ' CE3' HD12 ' A' ' 52' ' ' LEU . 10.4 t-105 -146.75 140.41 25.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 107.982 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.608 ' HG2' HD21 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -128.49 111.35 13.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.318 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.569 ' C ' HD22 ' A' ' 46' ' ' LEU . 5.0 ttp180 -86.53 110.96 20.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.608 HD21 ' HG2' ' A' ' 44' ' ' GLN . 3.3 mm? -123.49 92.25 3.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 60.57 -145.85 47.07 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.4 m -65.61 78.31 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . 128.79 -130.07 6.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 138.27 173.26 12.88 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.5 t -102.99 127.51 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.318 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.627 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.1 tt -109.59 151.1 27.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.9 m -119.59 128.2 53.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.861 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 22.7 m-85 -104.93 126.68 52.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.524 ' HA ' HD12 ' A' ' 41' ' ' LEU . 48.4 ttt85 -40.11 -60.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -102.4 157.21 34.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.489 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.3 Cg_endo -75.0 -52.86 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.445 1.761 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.81 -38.69 82.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -66.72 -19.11 65.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.861 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -93.3 -32.29 14.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.426 ' HG2' ' N ' ' A' ' 62' ' ' ARG . 3.5 pt-20 -72.42 -39.16 68.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.426 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -58.08 -19.62 33.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.513 HG21 ' CE2' ' A' ' 54' ' ' PHE . 22.9 t -90.0 -46.66 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.362 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.521 ' HA ' HD23 ' A' ' 64' ' ' LEU . 10.4 mt -59.3 -40.11 85.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.73 -30.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.439 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 8.6 tt0 -86.32 116.31 24.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.16 2.74 19.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 109.287 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -129.15 147.3 50.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.71 ' CG ' HD23 ' A' ' 78' ' ' LEU . 75.7 m-70 -153.04 126.23 8.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.568 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.87 129.38 50.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.61 ' CD2' HD12 ' A' ' 25' ' ' LEU . 2.2 tp -149.49 105.73 3.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.571 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER 61.41 68.53 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 109.612 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.58 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 37.64 88.74 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.454 1.096 . . . . 0.0 111.019 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 170.68 148.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.367 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -101.1 105.8 17.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.722 HD22 ' N ' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -91.46 131.42 36.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.0 m -98.38 99.91 11.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.9 HD13 HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -86.73 139.0 31.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.607 ' O ' HG13 ' A' ' 11' ' ' VAL . 2.0 mtt85 -152.76 162.49 26.29 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 114.63 4.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.55 1.816 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.677 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -67.22 170.47 6.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.677 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.523 1.802 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.729 HG21 ' HA ' ' A' ' 57' ' ' PRO . 41.1 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -133.47 143.81 49.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 79' ' ' ARG . 89.1 t -128.34 120.63 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.415 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -73.69 114.61 12.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.265 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.004 HG22 HD13 ' A' ' 78' ' ' LEU . 96.3 t -95.62 135.18 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 77' ' ' SER . 2.6 ttm180 -134.29 146.94 50.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.3 65.24 2.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.695 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.4 OUTLIER -129.39 126.68 22.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.556 0.798 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.695 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.97 151.38 39.59 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.53 1.805 . . . . 0.0 111.045 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.97 -43.79 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.515 1.797 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.5 -37.44 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.506 HG11 ' HG ' ' A' ' 71' ' ' LEU . 40.5 t -80.57 122.21 82.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.475 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.6 Cg_endo -74.9 179.91 5.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' GLU . 4.7 p-10 -76.89 -45.94 26.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 22' ' ' ASP . 1.1 pm0 -35.3 -51.05 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.761 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -66.95 -52.75 39.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.731 HD22 ' CE2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -39.67 -37.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.8 p -87.95 -49.08 7.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.426 1.079 . . . . 0.0 110.385 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.775 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -45.91 -30.21 1.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.402 ' CE1' ' O ' ' A' ' 70' ' ' GLU . 58.0 t80 -82.81 -64.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.655 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 13.3 m-85 -54.04 -27.25 31.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -75.74 -45.44 36.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.65 139.17 57.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 33' ' ' ARG . 10.0 ptt180 -83.94 -37.08 22.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -63.84 -49.64 72.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -58.24 -58.95 6.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.527 ' OG ' HG13 ' A' ' 63' ' ' VAL . 2.9 t -104.86 -82.07 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.53 79.91 0.33 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.554 1.159 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.14 -89.52 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.04 -153.55 11.76 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.93 21.53 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.7 t -121.21 123.45 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -54.63 23.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.86 179.5 9.05 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.731 ' CE2' HD22 ' A' ' 25' ' ' LEU . 8.6 t-105 -147.01 122.24 10.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 108.01 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.462 ' HG2' HD21 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -111.59 104.56 12.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.877 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -82.9 121.01 26.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 110.338 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.877 HD22 ' C ' ' A' ' 45' ' ' ARG . 3.4 mm? -130.24 87.6 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.35 -117.58 4.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 97.2 m -81.84 -51.27 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.71 -120.49 4.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 139.14 166.42 10.6 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.3 t -89.8 124.04 42.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.773 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.632 HD12 ' CE3' ' A' ' 43' ' ' TRP . 3.3 tt -109.88 153.26 24.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 9' ' ' VAL . 54.3 m -120.87 138.05 54.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.674 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 16.0 m-85 -112.3 125.24 53.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.0 ttt85 -38.13 -60.77 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -99.39 155.7 36.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.729 ' HA ' HG21 ' A' ' 9' ' ' VAL . 18.3 Cg_endo -74.99 -53.16 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.556 1.819 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.81 -39.52 89.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -61.22 -25.17 66.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.674 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -81.62 -53.59 6.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -56.4 -36.66 69.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -27.44 40.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.571 HG12 ' HE1' ' A' ' 69' ' ' HIS . 41.5 t -85.91 -44.92 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 64' ' ' LEU . 9.9 mt -56.75 -38.88 73.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.45 -36.14 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.443 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 0.2 OUTLIER -88.0 116.26 26.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.14 2.56 20.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -125.72 145.22 50.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.669 ' CD2' HD23 ' A' ' 78' ' ' LEU . 65.8 m-70 -148.67 134.22 18.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.579 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.402 ' O ' ' CE1' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -119.43 132.26 55.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.711 ' HB3' HD21 ' A' ' 76' ' ' LEU . 43.6 tp -152.53 95.62 2.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 60.45 61.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.557 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 48.52 76.84 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -177.74 132.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.746 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -87.93 97.49 10.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.711 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -78.57 125.4 29.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.142 . . . . 0.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 14' ' ' ARG . 13.7 m -90.93 101.05 13.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 1.004 HD13 HG22 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -86.57 143.9 27.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.478 ' O ' HG13 ' A' ' 11' ' ' VAL . 31.9 mtt-85 -152.76 158.44 33.11 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.132 . . . . 0.0 110.255 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 115.53 4.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.485 1.782 . . . . 0.0 111.044 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.415 ' HB2' ' N ' ' A' ' 12' ' ' GLU . . . -66.96 158.09 82.14 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 111.006 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 53' ' ' THR . 2.0 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -136.07 144.57 45.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 79' ' ' ARG . 77.5 t -132.32 118.83 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -74.81 116.11 15.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 110.338 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.922 HG22 HD13 ' A' ' 78' ' ' LEU . 88.3 t -103.43 136.99 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.488 ' HG2' ' CB ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -139.06 149.2 44.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.93 42.52 10.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.602 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -111.91 123.47 34.49 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.777 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.602 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.96 147.94 34.8 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.458 1.767 . . . . 0.0 111.035 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.0 -32.98 4.93 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.479 1.779 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.49 -31.78 4.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -87.24 124.42 68.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 161.46 38.8 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.478 1.778 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 26' ' ' THR . 11.9 p-10 -62.84 -39.41 94.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.472 ' HG2' HD23 ' A' ' 24' ' ' LEU . 5.5 tt0 -39.95 -55.75 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.754 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -63.08 -50.78 69.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.709 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -40.31 -42.17 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 22' ' ' ASP . 45.4 p -83.81 -51.15 7.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.432 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.776 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -43.26 -31.91 0.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.351 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.432 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 24.4 t80 -81.65 -65.24 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 15.2 m-85 -51.08 -49.93 59.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -51.58 -50.76 59.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -55.56 147.71 17.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.228 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -64.03 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.8 -51.45 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.432 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 6.8 mmp_? -46.53 -67.08 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 88.3 p -115.24 -72.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.017 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 134.33 60.38 0.07 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.36 -151.65 7.57 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.1 -154.04 6.95 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 97.85 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.002 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.8 t -45.93 119.51 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -58.45 -53.78 54.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.1 t -154.7 172.95 17.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.791 ' CE3' HD12 ' A' ' 52' ' ' LEU . 15.1 t-105 -146.22 130.75 17.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 107.966 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -126.62 97.39 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -71.84 121.35 18.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.8 mt -112.04 -167.94 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -42.85 -87.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.14 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 61.7 m -55.34 -77.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.09 -85.86 1.23 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 145.42 159.57 8.19 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.1 t -86.94 127.73 40.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.791 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -110.03 148.94 30.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.376 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 9' ' ' VAL . 7.7 m -115.39 122.12 44.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.365 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.65 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 9.2 m-85 -98.91 113.3 25.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.457 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 58.2 ttt-85 -38.57 -42.88 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.72 133.73 23.59 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.554 ' CB ' HG21 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.01 -36.12 2.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.09 -37.8 86.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.594 ' O ' HG23 ' A' ' 63' ' ' VAL . 63.3 m-20 -78.71 -24.51 44.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.65 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -77.29 -41.78 39.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -52.99 -47.99 67.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.252 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.12 -33.18 62.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 59' ' ' ASP . 21.6 t -75.16 -36.8 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.508 HD21 HG13 ' A' ' 11' ' ' VAL . 12.7 mt -70.89 -43.74 67.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.32 -33.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.405 ' N ' ' C ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -94.02 106.26 18.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.45 -0.08 18.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.413 ' O ' ' CD2' ' A' ' 69' ' ' HIS . 3.9 t70 -119.44 139.73 51.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.77 ' CD2' HD23 ' A' ' 78' ' ' LEU . 67.7 m-70 -150.95 134.82 16.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.603 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.6 124.26 44.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.709 ' CD2' HD12 ' A' ' 25' ' ' LEU . 15.0 tp -145.15 102.63 3.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.455 ' NE2' HD13 ' A' ' 24' ' ' LEU . 0.6 OUTLIER 58.69 65.89 1.16 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 109.579 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.623 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 41.95 86.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 168.42 139.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.41 ' C ' HD13 ' A' ' 76' ' ' LEU . 11.4 pt20 -93.77 110.13 21.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.71 HD22 ' O ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -90.25 131.76 35.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.488 ' CB ' ' HG2' ' A' ' 14' ' ' ARG . 0.9 OUTLIER -94.34 105.59 17.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.922 HD13 HG22 ' A' ' 13' ' ' VAL . 1.1 mm? -93.8 133.92 36.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.54 ' O ' HG13 ' A' ' 11' ' ' VAL . 29.6 mtt-85 -152.65 161.4 29.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 115.21 4.22 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.424 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -67.23 162.35 55.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.424 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.566 HG21 ' CB ' ' A' ' 57' ' ' PRO . 2.0 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -136.73 140.21 42.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.6 t -128.32 118.19 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' ARG . 52.6 tt0 -73.64 108.92 6.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.948 HG22 HD13 ' A' ' 78' ' ' LEU . 97.7 t -91.47 139.44 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -136.55 145.14 44.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.09 66.52 2.01 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.673 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -135.06 126.34 17.59 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 109.265 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.673 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.98 146.82 33.18 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.537 1.809 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.98 -35.21 3.29 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.797 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.33 -45.0 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.5 t -72.39 127.27 90.38 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 168.91 23.79 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.475 1.776 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 26' ' ' THR . 9.7 p-10 -73.45 -22.92 60.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.454 ' HB2' HD23 ' A' ' 24' ' ' LEU . 1.2 mt-10 -55.36 -52.81 62.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.733 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -67.31 -48.74 66.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.832 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -40.62 -45.84 2.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 22' ' ' ASP . 73.8 p -78.06 -50.75 11.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.772 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -44.28 -31.84 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -79.47 -66.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.551 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 19.6 m-85 -52.58 -29.73 27.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -73.34 -45.51 54.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.12 137.72 57.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -85.68 -37.84 18.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.6 mtt85 -63.03 -46.15 88.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.266 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -58.63 -63.45 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.78 -73.14 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.7 65.75 0.16 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.93 -131.48 2.71 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.65 -156.04 6.67 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.17 31.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.447 1.761 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.0 t -98.81 129.54 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.358 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -55.41 8.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.41 179.35 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.959 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.524 ' CZ2' ' HA ' ' A' ' 45' ' ' ARG . 9.5 t-105 -148.44 132.55 17.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 108.022 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -121.31 97.26 5.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.524 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 11.7 ttp180 -74.26 130.03 38.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 45' ' ' ARG . 64.9 mt -131.21 98.69 4.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.22 -117.82 5.33 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 58.9 m -88.38 62.19 6.53 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 146.39 -140.21 8.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 140.36 161.57 8.76 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.0 t -92.72 130.81 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.873 HD22 ' CE1' ' A' ' 54' ' ' PHE . 5.2 tt -109.88 150.92 27.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 9' ' ' VAL . 13.8 m -115.59 120.89 40.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.873 ' CE1' HD22 ' A' ' 52' ' ' LEU . 23.1 m-85 -102.05 119.29 38.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.6 ttt85 -41.46 -56.14 2.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 1.0 OUTLIER -105.44 133.06 20.36 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.08 . . . . 0.0 110.284 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.566 ' CB ' HG21 ' A' ' 9' ' ' VAL . 18.1 Cg_endo -74.97 -34.94 3.47 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.504 1.792 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.85 -50.92 72.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.641 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.6 OUTLIER -64.69 -39.27 93.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.456 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -57.57 -40.69 79.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -59.34 -46.47 88.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -24.32 63.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.266 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 59' ' ' ASP . 39.3 t -83.66 -39.87 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' A' ' 66' ' ' GLN . 11.7 mt -67.59 -43.64 80.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -39.44 -30.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.437 ' N ' ' C ' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -89.51 112.23 23.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.36 2.08 19.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -123.16 141.09 52.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.69 ' CD2' HD23 ' A' ' 78' ' ' LEU . 68.7 m-70 -147.43 121.17 9.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.57 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.94 130.99 53.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.912 ' HB3' HD21 ' A' ' 76' ' ' LEU . 27.1 tp -151.48 95.51 2.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.434 ' NE2' HD13 ' A' ' 24' ' ' LEU . 0.8 OUTLIER 60.77 50.25 5.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.58 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.39 73.79 0.43 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.95 127.78 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.763 . . . . 0.0 109.305 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -88.65 93.48 9.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.912 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -76.61 135.03 39.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.8 m -95.4 100.52 12.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.948 HD13 HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -86.85 137.12 32.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 12' ' ' GLU . 78.1 mtt180 -152.59 157.29 33.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 122.73 7.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.1 158.49 81.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.493 1.786 . . . . 0.0 111.019 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.624 HG21 ' CA ' ' A' ' 57' ' ' PRO . 29.0 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -128.48 151.97 48.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.559 HG13 HD21 ' A' ' 64' ' ' LEU . 86.9 t -135.72 118.99 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.33 110.79 9.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.865 HG22 ' CD1' ' A' ' 78' ' ' LEU . 75.5 t -89.5 136.22 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.473 ' HG3' ' N ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -131.21 142.05 50.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.473 ' N ' ' HG3' ' A' ' 14' ' ' ARG . . . 75.69 68.98 1.45 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.744 HD13 ' CD1' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -134.59 124.76 17.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 109.269 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.635 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.4 Cg_endo -75.02 150.12 37.61 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.538 1.809 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -40.58 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.432 1.753 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.34 -41.58 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.5 HG11 ' HG ' ' A' ' 71' ' ' LEU . 58.6 t -72.38 120.82 82.61 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.473 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.4 Cg_endo -74.99 149.24 36.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.547 1.814 . . . . 0.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -51.67 -38.3 54.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -41.57 -55.56 2.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.7 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -64.68 -51.67 61.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.966 HD12 ' CD2' ' A' ' 71' ' ' LEU . 2.8 tp -39.59 -44.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.0 p -79.5 -46.81 16.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.776 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.82 -38.07 33.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.484 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 28.6 t80 -71.57 -60.14 2.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.48 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 13.3 m-85 -55.79 -40.62 72.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -61.2 -48.54 81.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.442 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 2.7 t-20 -58.08 143.07 44.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -60.25 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -47.44 -53.76 13.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.484 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 86.0 mmt-85 -42.81 -60.69 1.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -125.3 -68.65 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 120.95 75.0 0.39 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.37 -102.1 0.78 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.35 -155.62 18.24 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 103.07 1.67 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.619 HG13 HD21 ' A' ' 52' ' ' LEU . 55.0 t -57.45 120.74 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.457 HD23 ' HG3' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -60.71 -56.81 16.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.59 179.6 8.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.746 ' CE3' HD12 ' A' ' 52' ' ' LEU . 9.0 t-105 -148.22 114.83 5.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 107.987 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -105.9 97.71 7.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.43 127.26 32.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.3 mt -119.39 73.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.43 -90.67 0.73 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.122 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.8 m -80.95 -77.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.595 ' HA2' HD23 ' A' ' 16' ' ' LEU . . . -89.02 -112.6 1.26 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.82 168.26 12.06 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.8 t -93.34 129.56 43.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.746 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.1 tt -109.6 153.42 24.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.6 m -119.6 135.83 54.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.605 ' CE2' HG21 ' A' ' 63' ' ' VAL . 17.4 m-85 -113.94 122.93 48.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.457 ' HG3' HD23 ' A' ' 41' ' ' LEU . 44.0 ttt180 -38.13 -59.63 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -98.1 154.13 37.84 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.624 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.5 Cg_endo -74.99 -52.04 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.461 1.769 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.69 75.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -65.52 -17.72 64.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.572 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -93.43 -40.95 10.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 62' ' ' ARG . 4.2 pt-20 -61.82 -40.59 95.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.342 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.411 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -57.63 -36.08 71.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.605 HG21 ' CE2' ' A' ' 54' ' ' PHE . 60.1 t -73.7 -39.99 53.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.559 HD21 HG13 ' A' ' 11' ' ' VAL . 13.6 mt -65.95 -44.43 85.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -38.8 -31.0 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 64' ' ' LEU . 1.1 tt0 -97.75 107.67 20.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.58 0.52 19.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -118.27 135.21 54.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.922 ' O ' HD22 ' A' ' 76' ' ' LEU . 85.1 m-70 -153.1 125.01 7.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.614 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.99 142.93 38.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.966 ' CD2' HD12 ' A' ' 25' ' ' LEU . 44.5 tp -154.24 95.77 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 54.41 66.91 1.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.589 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.621 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 49.89 82.18 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 168.49 126.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -87.95 112.01 22.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.922 HD22 ' O ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -90.2 121.43 32.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' ARG . 20.3 m -87.81 104.78 16.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.865 ' CD1' HG22 ' A' ' 13' ' ' VAL . 1.6 mm? -86.47 141.53 29.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -152.78 159.05 32.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 117.19 4.81 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.646 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -67.15 169.18 8.99 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.646 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.603 HG21 ' CA ' ' A' ' 57' ' ' PRO . 16.5 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -130.32 143.88 51.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.444 HG13 ' O ' ' A' ' 79' ' ' ARG . 52.8 t -127.32 124.38 63.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.94 116.62 14.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.974 HG22 HD13 ' A' ' 78' ' ' LEU . 85.4 t -96.4 132.37 40.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 77' ' ' SER . 14.8 ttm180 -132.89 147.13 52.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.18 68.5 1.59 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.678 HD12 ' HD2' ' A' ' 17' ' ' PRO . 1.2 tp -134.52 124.58 17.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.678 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.4 Cg_endo -74.99 151.93 40.16 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.457 1.767 . . . . 0.0 111.051 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.422 ' C ' ' N ' ' A' ' 20' ' ' VAL . 18.2 Cg_endo -75.02 -43.11 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.444 1.76 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.87 -28.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.422 ' N ' ' C ' ' A' ' 18' ' ' PRO . 57.1 t -88.92 121.55 69.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.483 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.3 Cg_endo -74.99 -179.67 5.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' GLU . 6.0 p-10 -77.23 -46.24 23.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 22' ' ' ASP . 1.2 pm0 -35.08 -51.06 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.753 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -66.27 -52.77 44.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.794 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -39.16 -40.19 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.8 p -84.41 -50.87 7.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.767 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -42.8 -31.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.402 ' CB ' HD13 ' A' ' 71' ' ' LEU . 9.8 t80 -82.49 -63.0 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.683 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 15.5 m-85 -54.07 -44.91 71.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -61.56 -44.6 96.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -55.45 134.67 50.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 ptt-85 -86.92 -29.65 21.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -45.41 19.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -62.33 -51.72 66.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.356 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.61 -77.29 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.006 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.48 73.01 0.5 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.501 1.125 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.75 -81.04 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.95 -157.18 28.52 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.423 ' HG2' ' CD ' ' A' ' 55' ' ' ARG . 18.3 Cg_endo -74.97 155.01 43.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.4 t -104.53 122.43 57.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -63.02 -53.23 57.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.0 179.56 9.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.638 ' CE3' HD12 ' A' ' 52' ' ' LEU . 8.8 t-105 -147.36 125.39 12.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 107.992 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -115.97 99.08 7.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.684 ' O ' HD23 ' A' ' 46' ' ' LEU . 6.1 ttp180 -80.48 131.11 35.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.684 HD23 ' O ' ' A' ' 45' ' ' ARG . 57.6 mt -128.34 -134.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -68.71 100.74 0.71 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.2 m 69.47 -65.43 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . -90.13 -114.07 1.57 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 135.69 173.97 13.21 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' GLN . 2.6 t -96.81 127.64 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.638 HD12 ' CE3' ' A' ' 43' ' ' TRP . 2.3 tt -110.58 152.2 26.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.4 m -122.04 132.71 54.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.408 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.911 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 13.9 m-85 -106.94 137.21 45.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.45 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 28.3 ttt180 -45.13 -62.29 1.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -103.7 160.22 26.81 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.603 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.1 Cg_endo -75.02 -46.33 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.448 1.762 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 62' ' ' ARG . . . -61.76 -44.04 97.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.613 ' O ' HG23 ' A' ' 63' ' ' VAL . 53.1 m-20 -57.7 -42.65 84.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.911 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -67.4 -36.26 80.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -74.0 -34.52 64.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -62.52 -19.32 63.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 59' ' ' ASP . 44.1 t -92.94 -44.2 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.491 ' HA ' HD23 ' A' ' 64' ' ' LEU . 9.2 mt -57.63 -38.78 75.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.21 -31.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.451 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 5.4 tt0 -90.51 114.88 27.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.04 2.38 20.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -127.7 147.65 50.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.364 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.678 ' CD2' HD23 ' A' ' 78' ' ' LEU . 61.2 m-70 -150.5 135.96 18.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.592 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.07 124.91 45.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.794 ' CD2' HD12 ' A' ' 25' ' ' LEU . 21.3 tp -144.64 98.93 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.546 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER 57.29 58.58 3.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.596 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.533 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 52.34 84.18 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 173.88 133.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.272 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -89.48 96.04 10.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.671 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -77.23 126.34 30.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ARG . 6.4 m -92.97 99.69 12.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.974 HD13 HG22 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -88.07 143.69 26.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.444 ' O ' HG13 ' A' ' 11' ' ' VAL . 1.8 mtt85 -152.61 161.97 27.75 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.364 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 118.54 5.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.499 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -67.38 164.75 34.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.499 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.637 HG11 ' HA ' ' A' ' 57' ' ' PRO . 3.1 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -135.53 143.67 45.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.624 ' CG1' HD21 ' A' ' 64' ' ' LEU . 57.8 t -127.33 119.13 51.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -76.66 115.99 16.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.283 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.959 HG22 HD13 ' A' ' 78' ' ' LEU . 84.3 t -97.08 139.51 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -134.28 147.07 50.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.504 ' O ' HD13 ' A' ' 76' ' ' LEU . . . 69.98 66.45 2.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.743 HD12 ' HD2' ' A' ' 17' ' ' PRO . 2.3 tp -128.27 124.74 23.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.743 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.2 Cg_endo -75.04 150.07 37.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.98 -36.92 2.28 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.459 1.768 . . . . 0.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.49 -34.21 2.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.425 HG11 ' HG ' ' A' ' 71' ' ' LEU . 18.9 t -86.57 120.47 71.99 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.3 Cg_endo -75.02 -179.94 5.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 23' ' ' GLU . 6.0 p-10 -76.72 -46.42 25.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 22' ' ' ASP . 0.9 OUTLIER -35.13 -49.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.756 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -69.5 -53.3 19.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.726 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -39.78 -39.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' GLU . 49.9 p -83.04 -46.47 12.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.366 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.757 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.82 -30.57 14.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -80.41 -49.87 10.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 22.6 m-85 -76.62 0.84 18.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' THR . 17.2 mt-10 -101.32 -39.5 7.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.274 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.459 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -74.63 127.37 32.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -66.31 -53.29 38.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -50.06 62.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.459 ' CG ' ' HB3' ' A' ' 31' ' ' ASN . 0.2 OUTLIER -52.84 -62.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -105.76 -73.74 0.67 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 109.967 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.41 ' N ' ' OG ' ' A' ' 35' ' ' SER . . . 121.53 49.75 0.26 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.31 -100.67 1.48 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.28 -155.02 11.88 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 141.01 25.95 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.548 1.814 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.5 t -95.76 122.12 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -55.42 30.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.25 179.29 9.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.75 ' CE3' HD12 ' A' ' 52' ' ' LEU . 11.1 t-105 -151.16 132.12 14.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 107.978 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -124.04 97.24 5.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.755 ' O ' HD23 ' A' ' 46' ' ' LEU . 31.5 ttp180 -69.5 136.71 51.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.343 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.755 HD23 ' O ' ' A' ' 45' ' ' ARG . 31.8 mt -143.34 128.81 19.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.371 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' LEU . . . 37.93 -116.06 0.43 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 23.6 p -101.29 51.76 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' LEU . . . 166.85 -128.48 1.75 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 136.16 160.93 8.97 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.7 t -91.39 128.47 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.75 HD12 ' CE3' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -109.75 156.64 20.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 9' ' ' VAL . 29.0 m -123.71 133.69 53.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.611 ' CE2' HG21 ' A' ' 63' ' ' VAL . 16.4 m-85 -112.61 121.12 43.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.1 ttt-85 -38.75 -57.55 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -99.32 151.23 37.34 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.083 . . . . 0.0 110.356 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.637 ' HA ' HG11 ' A' ' 9' ' ' VAL . 18.3 Cg_endo -74.94 -51.21 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.31 -44.02 88.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.651 ' O ' HG23 ' A' ' 63' ' ' VAL . 35.7 m-20 -56.44 -33.91 66.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.439 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -67.57 -59.04 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -50.76 -46.33 59.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -47.26 -35.95 8.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 59' ' ' ASP . 26.3 t -77.73 -36.73 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.624 HD21 ' CG1' ' A' ' 11' ' ' VAL . 26.8 mt -68.08 -37.92 81.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.06 -31.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.431 ' N ' ' C ' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -93.64 113.77 25.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.95 -0.56 21.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 69' ' ' HIS . 4.4 t70 -124.86 142.67 51.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.564 ' CD2' HD23 ' A' ' 78' ' ' LEU . 96.0 m-70 -156.1 119.05 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.604 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.6 134.1 53.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.726 ' CD2' HD12 ' A' ' 25' ' ' LEU . 4.9 tp -150.92 99.52 2.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.524 ' NE2' HD13 ' A' ' 24' ' ' LEU . 1.7 m-70 65.92 69.46 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.617 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.571 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 37.66 86.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 171.8 148.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.14 100.57 11.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.691 HD22 ' N ' ' A' ' 76' ' ' LEU . 0.5 OUTLIER -88.89 127.3 35.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.2 m -98.33 107.2 19.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.026 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.959 HD13 HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -91.12 137.21 32.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.568 ' O ' HG13 ' A' ' 11' ' ' VAL . 14.7 mtt-85 -152.69 160.09 31.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 120.96 6.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.36 157.99 83.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.525 HG21 ' CA ' ' A' ' 57' ' ' PRO . 14.1 t . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -129.85 145.9 51.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.504 HG13 ' O ' ' A' ' 79' ' ' ARG . 42.5 t -129.21 117.55 43.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 79' ' ' ARG . 3.5 tm-20 -74.6 114.56 13.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.879 HG22 HD13 ' A' ' 78' ' ' LEU . 78.7 t -96.72 135.92 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.3 147.66 51.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.496 ' O ' HD13 ' A' ' 76' ' ' LEU . . . 73.1 68.12 1.66 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.687 HD13 ' CD1' ' A' ' 25' ' ' LEU . 1.9 tp -131.71 120.97 17.88 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.781 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.586 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.03 155.9 42.84 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.407 ' C ' ' N ' ' A' ' 20' ' ' VAL . 18.3 Cg_endo -74.93 -40.72 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.769 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.59 -32.23 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' A' ' 18' ' ' PRO . 4.7 t -85.75 123.49 72.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 170.92 19.35 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.79 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 23' ' ' GLU . 43.4 m-20 -70.5 -55.06 9.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.433 ' CG ' HD23 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -36.24 -44.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 110.272 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -65.4 -65.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.793 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.7 OUTLIER -35.67 -38.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' GLU . 2.1 p -79.88 -47.7 14.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.412 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.807 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -48.26 -40.34 24.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.539 ' HB2' HD13 ' A' ' 71' ' ' LEU . 55.7 t80 -68.88 -52.08 33.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.759 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 19.9 m-85 -68.39 -12.61 61.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' THR . 6.9 mt-10 -88.36 -44.78 10.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -67.07 122.1 17.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -71.5 -21.43 61.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -76.6 -45.14 31.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -62.18 -54.67 37.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.2 p -112.87 -75.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.035 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.59 58.08 0.07 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.12 -124.9 2.68 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.03 -152.71 6.54 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 96.31 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.6 t -44.05 120.88 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -58.85 -57.56 12.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 t -147.84 176.95 9.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.773 ' CE3' HD12 ' A' ' 52' ' ' LEU . 8.6 t-105 -151.16 122.25 7.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 108.065 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -118.07 97.36 5.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -73.75 135.4 43.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.1 mt -133.48 -156.82 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.252 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 48' ' ' CYS . . . -69.15 120.87 10.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 47' ' ' GLY . 27.8 p 39.58 57.21 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 139.8 -141.2 11.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.86 167.07 13.5 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.2 t -93.56 125.02 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.773 HD12 ' CE3' ' A' ' 43' ' ' TRP . 2.1 tt -110.4 153.74 24.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 9' ' ' VAL . 51.3 m -119.51 133.06 55.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.419 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.687 ' CE2' HG21 ' A' ' 63' ' ' VAL . 10.3 m-85 -109.05 122.8 48.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.484 ' HA ' HD12 ' A' ' 41' ' ' LEU . 49.2 ttt85 -41.26 -56.26 2.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -100.28 149.74 36.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.525 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.4 Cg_endo -75.0 -50.31 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.554 1.818 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.73 -45.18 86.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.625 ' O ' HG23 ' A' ' 63' ' ' VAL . 13.4 m-20 -55.33 -36.17 65.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 57' ' ' PRO . . . -64.85 -52.67 55.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 64' ' ' LEU . 33.5 mm-40 -53.89 -52.29 60.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.433 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 5.3 mtt85 -43.81 -42.36 5.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.687 HG21 ' CE2' ' A' ' 54' ' ' PHE . 47.3 t -68.97 -37.11 76.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 61' ' ' GLU . 64.7 mt -69.74 -32.56 71.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 62' ' ' ARG . . . -40.16 -30.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.438 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 2.9 tt0 -103.35 114.28 28.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.69 -0.31 23.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -121.88 139.13 54.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.702 ' CD2' HD23 ' A' ' 78' ' ' LEU . 89.7 m-70 -148.47 128.69 13.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.57 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.72 127.46 50.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.793 ' CD2' HD12 ' A' ' 25' ' ' LEU . 3.0 tp -145.0 98.28 3.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 66.79 68.59 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.593 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.603 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 39.93 88.17 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 169.54 147.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 0.803 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -101.65 105.87 16.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.712 HD22 ' N ' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -91.94 125.86 36.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 m -93.77 101.57 13.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.879 HD13 HG22 ' A' ' 13' ' ' VAL . 1.1 mm? -86.57 136.86 32.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.504 ' O ' HG13 ' A' ' 11' ' ' VAL . 49.6 mtt180 -152.51 158.58 33.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 122.45 7.24 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.447 1.762 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.02 154.78 91.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.538 1.809 . . . . 0.0 110.99 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.66 HG21 ' CA ' ' A' ' 57' ' ' PRO . 24.2 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -129.93 148.79 51.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 79' ' ' ARG . 97.3 t -133.51 123.7 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.78 113.48 10.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.246 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.027 HG22 HD13 ' A' ' 78' ' ' LEU . 75.0 t -95.39 129.94 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 77' ' ' SER . 2.1 ttm180 -131.16 145.63 52.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.97 66.95 1.82 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.616 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.4 OUTLIER -134.99 125.58 17.25 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.563 0.802 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.616 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.98 147.83 34.54 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.534 1.807 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.99 -32.62 5.24 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.11 -41.68 17.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.488 HG11 ' HG ' ' A' ' 71' ' ' LEU . 20.3 t -76.65 124.67 87.8 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 165.7 30.76 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 3.4 p-10 -65.85 -40.19 91.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.485 ' HG2' HD23 ' A' ' 24' ' ' LEU . 8.6 tt0 -38.59 -55.28 1.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.818 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -65.03 -51.06 63.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.809 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -39.34 -43.86 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.462 ' H ' ' HG1' ' A' ' 26' ' ' THR . 48.8 p -81.08 -50.34 9.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.773 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -44.97 -34.14 2.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.52 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 46.5 t80 -75.27 -65.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.088 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.635 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 21.8 m-85 -53.58 -36.24 61.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -62.78 -48.8 77.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.405 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -69.17 142.81 54.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -78.48 -62.6 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -39.7 -47.49 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.52 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 6.1 mmt85 -51.89 -64.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 28' ' ' TYR . 2.4 p -119.75 -61.86 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.78 70.87 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.28 -151.07 5.37 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.9 -160.46 10.55 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 96.99 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.441 1.758 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.663 ' CG1' HD21 ' A' ' 52' ' ' LEU . 53.7 t -47.14 120.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -56.06 -59.45 4.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.31 179.43 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.024 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.749 ' CE2' HD22 ' A' ' 25' ' ' LEU . 7.8 t-105 -148.36 120.31 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -109.83 97.79 7.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 110.343 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.516 ' HG3' ' CZ2' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -72.11 133.06 44.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.7 mt -128.13 82.96 2.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.34 -85.51 0.1 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 0.0 111.064 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 60.5 m -92.74 -76.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.1 -118.14 0.51 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 134.15 161.52 9.63 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.0 t -88.33 125.67 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.76 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.663 HD21 ' CG1' ' A' ' 40' ' ' VAL . 1.8 tt -109.44 152.35 25.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.102 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 9' ' ' VAL . 62.2 m -121.86 133.35 54.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.453 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.781 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 18.2 m-85 -108.32 129.0 55.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.464 ' HA ' HD23 ' A' ' 41' ' ' LEU . 36.0 ttt85 -38.23 -61.99 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -105.27 161.26 23.3 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.66 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.08 -46.25 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.459 1.768 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.55 99.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.643 ' O ' HG23 ' A' ' 63' ' ' VAL . 79.1 m-20 -57.51 -36.81 72.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.781 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -74.23 -46.57 40.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.44 -48.65 80.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -21.67 1.86 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 59' ' ' ASP . 85.9 t -88.59 -51.96 11.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 64' ' ' LEU . 12.5 mt -54.38 -38.17 65.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.28 -36.23 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.458 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 10.8 tt0 -85.46 118.8 25.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.82 6.06 19.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.19 138.89 51.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.617 ' CD2' HD23 ' A' ' 78' ' ' LEU . 31.8 m-70 -146.51 131.53 18.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.601 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 71' ' ' LEU . 0.7 OUTLIER -120.75 135.67 55.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.809 ' CD2' HD12 ' A' ' 25' ' ' LEU . 26.2 tp -154.13 96.53 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 61.24 62.63 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 109.628 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 46.59 78.0 0.09 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -178.95 135.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -90.02 97.56 11.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.721 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -77.7 126.37 30.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 14' ' ' ARG . 14.3 m -93.53 97.63 10.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 1.027 HD13 HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -87.21 142.05 28.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.496 ' O ' HG13 ' A' ' 11' ' ' VAL . 18.2 mtt180 -152.59 160.63 30.92 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 119.92 5.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.777 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.44 157.84 84.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.495 1.787 . . . . 0.0 110.986 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.691 HG21 ' CA ' ' A' ' 57' ' ' PRO . 58.7 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -130.36 139.91 50.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 79' ' ' ARG . 59.6 t -123.05 124.59 70.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.474 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 5.7 tm-20 -74.94 112.28 11.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.087 HG22 HD13 ' A' ' 78' ' ' LEU . 74.8 t -96.86 135.52 30.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.13 145.94 44.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.93 69.54 1.38 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.442 1.089 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.609 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.6 OUTLIER -136.4 124.63 15.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 0.76 . . . . 0.0 109.284 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.609 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.02 150.58 38.26 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.02 -36.84 2.3 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 110.948 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.07 -41.56 5.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.402 HG11 ' HG ' ' A' ' 71' ' ' LEU . 25.5 t -74.07 122.2 86.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 156.47 43.16 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -59.25 -36.01 74.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -43.12 -55.68 3.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.698 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -62.97 -51.44 66.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.784 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -40.1 -44.92 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.439 ' H ' ' HG1' ' A' ' 26' ' ' THR . 62.6 p -80.04 -51.38 9.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.778 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -43.16 -37.17 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -73.63 -67.22 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.56 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 20.1 m-85 -50.31 -36.74 33.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -66.32 -47.04 74.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.441 ' CB ' ' HG3' ' A' ' 34' ' ' ARG . 1.1 m-20 -60.59 140.15 57.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.5 ptt-85 -89.37 -34.43 16.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -37.57 72.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.441 ' HG3' ' CB ' ' A' ' 31' ' ' ASN . 8.4 mmt180 -64.17 -56.64 13.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.79 -59.86 1.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.69 74.5 0.94 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.56 1.163 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.455 ' HA3' ' CG2' ' A' ' 63' ' ' VAL . . . -139.86 -79.94 0.07 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.49 -158.49 30.27 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.429 ' HG2' ' CD ' ' A' ' 55' ' ' ARG . 18.2 Cg_endo -75.03 147.06 33.3 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 110.931 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 53' ' ' THR . 53.9 t -102.47 132.54 48.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -57.42 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.16 179.35 7.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.927 ' CE3' HD12 ' A' ' 52' ' ' LEU . 7.7 t-105 -148.04 118.53 7.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 107.995 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -109.77 97.34 6.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.52 133.8 40.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 29.3 mt -133.73 -161.17 1.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.3 110.83 3.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.4 t 47.78 68.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 129.0 -131.21 6.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 137.45 165.25 10.34 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.3 t -87.91 123.51 40.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.927 HD12 ' CE3' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -109.65 141.46 42.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.465 ' O ' HG13 ' A' ' 40' ' ' VAL . 30.5 m -111.19 128.21 55.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.418 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.883 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 11.2 m-85 -102.23 132.12 48.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.429 ' CD ' ' HG2' ' A' ' 39' ' ' PRO . 22.8 ttt180 -40.09 -61.8 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -105.39 161.61 22.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.691 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.5 Cg_endo -74.94 -47.06 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.507 1.793 . . . . 0.0 111.05 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.65 -44.49 96.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.636 ' O ' HG23 ' A' ' 63' ' ' VAL . 46.4 m-20 -55.46 -39.8 70.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.883 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -70.03 -43.44 71.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -61.53 -51.36 68.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.49 -24.06 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.637 HG21 ' CE2' ' A' ' 54' ' ' PHE . 57.0 t -86.45 -43.35 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.492 ' HA ' HD23 ' A' ' 64' ' ' LEU . 11.1 mt -60.33 -41.29 93.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.39 -32.43 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.255 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.434 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 0.4 OUTLIER -90.44 113.31 25.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.9 1.38 20.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -124.69 144.59 50.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.75 ' CD2' HD23 ' A' ' 78' ' ' LEU . 88.3 m-70 -149.89 111.47 4.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.553 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.92 130.17 42.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.957 ' HB3' HD21 ' A' ' 76' ' ' LEU . 22.3 tp -151.7 95.6 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.49 ' CD2' HD13 ' A' ' 24' ' ' LEU . 1.4 m-70 53.48 64.89 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.619 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.582 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 48.98 86.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 171.03 141.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -103.54 93.81 5.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.957 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -72.01 127.43 32.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.7 m -90.31 98.59 11.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 1.087 HD13 HG22 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -86.34 141.73 29.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.51 ' O ' HG13 ' A' ' 11' ' ' VAL . 20.2 mtm180 -152.86 158.77 32.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.88 3.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.474 ' HB2' ' N ' ' A' ' 12' ' ' GLU . . . -67.03 163.16 47.26 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.455 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.51 1.795 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.681 HG21 ' CA ' ' A' ' 57' ' ' PRO . 32.9 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -127.9 138.53 52.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 79' ' ' ARG . 95.2 t -121.9 121.01 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.512 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 9.4 tm-20 -74.08 114.24 12.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.01 HG22 HD13 ' A' ' 78' ' ' LEU . 82.9 t -93.78 134.76 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 77' ' ' SER . 1.0 OUTLIER -134.69 146.12 49.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.48 60.38 3.03 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.118 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.646 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -129.48 125.99 22.64 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.287 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.646 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.01 152.13 40.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -38.1 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.474 1.776 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.46 -38.74 6.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.9 t -77.74 121.03 83.63 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.435 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.4 Cg_endo -75.01 157.72 42.57 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.534 1.807 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.577 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -60.18 -35.73 76.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.47 ' HG2' HD23 ' A' ' 24' ' ' LEU . 10.3 tt0 -43.6 -55.14 4.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.723 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -63.07 -48.56 78.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.664 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -40.06 -47.02 2.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 22' ' ' ASP . 25.7 p -79.42 -53.55 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.784 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -39.82 -31.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.432 ' N ' ' C ' ' A' ' 26' ' ' THR . 27.2 t80 -81.55 -61.69 1.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.655 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 22.9 m-85 -55.59 -43.92 76.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -59.67 -44.1 93.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.72 135.09 54.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -75.18 -62.95 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -42.23 -51.06 4.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -50.08 -68.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.254 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 p -109.06 -68.99 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.31 79.24 0.81 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.46 ' HA3' ' CG2' ' A' ' 63' ' ' VAL . . . -143.05 -85.19 0.08 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 165.81 -157.28 29.68 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.446 ' HG2' ' CD ' ' A' ' 55' ' ' ARG . 18.2 Cg_endo -75.02 141.73 26.93 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 53' ' ' THR . 42.2 t -96.78 120.64 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -56.82 17.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.33 179.34 8.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.707 ' CE3' HD12 ' A' ' 52' ' ' LEU . 13.4 t-105 -149.77 141.95 24.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.024 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -134.96 97.28 3.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.515 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 28.1 ttp85 -74.57 122.8 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.9 mt -110.79 -171.57 1.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -37.74 -90.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 m -104.67 69.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 134.23 -122.98 3.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.567 1.167 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 140.25 162.91 9.3 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.6 t -92.33 127.29 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.707 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.7 tt -109.91 147.63 33.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.6 ' O ' HG13 ' A' ' 40' ' ' VAL . 60.7 m -115.65 133.07 56.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.379 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.803 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 16.1 m-85 -107.78 127.12 53.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.446 ' CD ' ' HG2' ' A' ' 39' ' ' PRO . 31.5 ttt-85 -38.2 -60.84 0.73 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.23 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -103.62 160.67 25.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.681 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.1 Cg_endo -75.05 -46.63 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.07 99.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.652 ' O ' HG23 ' A' ' 63' ' ' VAL . 81.8 m-20 -55.68 -40.46 72.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.803 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -68.73 -50.46 50.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -56.44 -48.13 77.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.288 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -48.18 -24.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 59' ' ' ASP . 21.5 t -90.04 -46.7 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.493 ' HA ' HD23 ' A' ' 64' ' ' LEU . 10.8 mt -56.6 -40.59 75.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.14 -30.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 64' ' ' LEU . 2.6 tt0 -89.35 114.37 25.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.88 2.46 20.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -126.92 147.69 50.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.661 ' CD2' HD23 ' A' ' 78' ' ' LEU . 65.3 m-70 -150.92 129.42 12.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.643 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -119.51 126.82 52.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.664 ' CD2' HD12 ' A' ' 25' ' ' LEU . 18.4 tp -147.44 95.62 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 60.9 63.26 1.31 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 109.621 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 46.92 82.52 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 175.83 131.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 109.264 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -88.85 97.86 11.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.631 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -79.31 127.49 32.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' ARG . 5.9 m -92.92 99.7 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 1.01 HD13 HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -86.41 140.44 30.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.505 ' O ' HG13 ' A' ' 11' ' ' VAL . 70.9 mtt180 -152.52 158.93 33.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 113.79 3.87 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.677 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -66.84 170.67 5.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.677 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.534 1.807 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.617 HG11 ' HA ' ' A' ' 57' ' ' PRO . 3.4 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -136.74 142.53 43.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.7 t -126.8 121.21 57.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -73.86 109.86 7.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.955 HG22 HD13 ' A' ' 78' ' ' LEU . 74.3 t -90.64 130.39 39.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.0 146.12 52.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.76 65.0 2.22 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.605 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -133.62 124.62 18.04 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.467 0.745 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.605 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.2 Cg_endo -75.02 149.64 36.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.522 1.801 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.1 Cg_endo -75.02 -37.17 2.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.18 -30.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.8 t -87.61 122.41 70.5 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.462 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.2 Cg_endo -75.04 159.67 40.94 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.556 1.819 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.608 ' O ' HG23 ' A' ' 26' ' ' THR . 60.0 m-20 -62.11 -34.8 77.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.588 ' HG2' HD23 ' A' ' 24' ' ' LEU . 8.2 tt0 -44.57 -51.85 8.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.707 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -67.8 -48.19 66.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.758 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -39.45 -44.52 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 22' ' ' ASP . 20.3 p -80.85 -53.62 6.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.453 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.782 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -39.87 -31.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.428 ' N ' ' C ' ' A' ' 26' ' ' THR . 31.2 t80 -82.1 -60.24 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.562 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 19.5 m-85 -58.82 -52.68 64.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -45.89 -53.06 10.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -62.04 146.82 49.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -88.19 -49.33 7.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -50.26 59.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -54.7 -63.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.9 p -104.1 -70.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 117.61 84.01 0.98 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.43 ' HA3' ' CG2' ' A' ' 63' ' ' VAL . . . -161.45 -83.85 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.91 -156.92 26.64 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 160.42 40.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.792 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 53' ' ' THR . 44.3 t -109.45 127.54 66.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -67.44 -52.29 41.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.5 t -154.85 177.57 11.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.974 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.723 ' CE3' HD12 ' A' ' 52' ' ' LEU . 12.2 t-105 -150.99 136.17 17.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 107.975 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.467 ' HG2' HD21 ' A' ' 46' ' ' LEU . 6.2 tt0 -130.77 112.94 13.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.499 ' C ' HD22 ' A' ' 46' ' ' LEU . 4.5 ttp85 -89.71 113.42 24.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.499 HD22 ' C ' ' A' ' 45' ' ' ARG . 3.3 mm? -109.52 45.25 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.12 133.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.452 1.095 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.7 m 43.17 53.4 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 120.81 -147.64 17.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.149 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 145.01 175.87 18.53 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.5 t -96.27 125.35 49.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.532 0.784 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.723 HD12 ' CE3' ' A' ' 43' ' ' TRP . 2.1 tt -109.54 149.17 30.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 9' ' ' VAL . 7.3 m -119.07 125.6 49.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.856 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 19.0 m-85 -100.69 134.62 43.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.437 ' HA ' HD12 ' A' ' 41' ' ' LEU . 32.7 ttt180 -41.7 -63.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -104.5 161.16 23.67 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.617 ' HA ' HG11 ' A' ' 9' ' ' VAL . 18.4 Cg_endo -75.03 -46.84 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.63 -45.72 92.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.662 ' O ' HG23 ' A' ' 63' ' ' VAL . 61.6 m-20 -57.77 -33.93 69.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.856 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -76.66 -45.88 27.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -63.86 -37.55 87.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -19.11 41.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.3 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 59' ' ' ASP . 25.7 t -94.46 -43.62 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.491 ' HA ' HD23 ' A' ' 64' ' ' LEU . 8.8 mt -57.15 -41.09 78.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.99 -29.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.45 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 3.1 tt0 -90.28 113.84 25.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.29 1.99 19.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.586 ' O ' ' CD2' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -123.67 153.81 40.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.674 ' CD2' HD23 ' A' ' 78' ' ' LEU . 65.2 m-70 -157.96 127.47 5.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.607 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -115.76 123.92 49.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.758 ' CD2' HD12 ' A' ' 25' ' ' LEU . 20.0 tp -144.85 97.17 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.532 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER 61.61 54.39 3.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.649 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 54.19 74.91 0.26 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.108 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.82 132.02 0.43 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 0.75 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -89.84 95.57 10.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.707 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -77.02 136.08 38.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.1 m -98.34 96.58 8.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.955 HD13 HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -86.78 135.43 33.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -152.76 162.72 25.68 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.257 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.51 6.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.681 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -67.06 170.81 5.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.681 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.601 HG21 ' CA ' ' A' ' 57' ' ' PRO . 21.3 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -136.69 147.53 46.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.542 HG13 ' O ' ' A' ' 79' ' ' ARG . 98.8 t -130.5 120.27 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -73.93 116.88 15.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.949 HG22 HD13 ' A' ' 78' ' ' LEU . 78.3 t -97.95 137.74 24.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.59 145.29 51.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.38 67.66 1.85 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.59 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -132.04 123.53 18.99 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.59 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.97 144.3 30.2 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -75.05 -23.18 13.97 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.91 -20.38 8.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.1 t -98.98 124.21 46.34 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 178.36 7.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.523 1.801 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.479 ' O ' HG23 ' A' ' 26' ' ' THR . 0.3 OUTLIER -75.35 -43.14 52.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.484 ' HG2' HD23 ' A' ' 24' ' ' LEU . 7.6 tt0 -37.79 -54.11 1.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.795 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -67.33 -53.77 26.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.767 HD22 ' CE2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -38.79 -38.5 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 30' ' ' GLU . 68.3 p -86.11 -50.17 7.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.771 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -42.99 -29.46 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.437 ' CB ' HD13 ' A' ' 71' ' ' LEU . 5.8 t80 -82.9 -63.09 1.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 23.0 m-85 -59.42 -13.84 10.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 26' ' ' THR . 19.8 mt-10 -89.64 -43.03 11.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.78 135.15 57.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.7 ptt-85 -86.27 -26.6 24.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.355 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -78.2 -42.0 32.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.34 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -64.27 -49.92 69.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.3 p -113.48 -76.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.023 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.26 49.07 0.2 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.45 -109.45 2.11 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.96 -155.14 9.16 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 151.42 39.52 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 53' ' ' THR . 11.4 t -104.35 119.71 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -53.49 57.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 43' ' ' TRP . 7.7 t -155.41 178.58 10.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.946 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.767 ' CE2' HD22 ' A' ' 25' ' ' LEU . 9.3 t-105 -151.08 141.07 22.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.027 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -136.11 97.46 3.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.368 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.5 ' HB2' ' CZ2' ' A' ' 43' ' ' TRP . 17.4 ttm-85 -77.64 121.72 24.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 45' ' ' ARG . 20.8 mt -117.92 118.24 31.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.68 -88.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 46' ' ' LEU . 5.4 p -113.46 -49.63 2.89 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.54 -122.58 0.87 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.96 151.31 7.01 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -87.51 126.83 41.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.726 HD12 ' CE3' ' A' ' 43' ' ' TRP . 2.5 tt -109.46 149.0 30.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.42 ' O ' HG13 ' A' ' 40' ' ' VAL . 10.4 m -118.27 132.2 56.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.4 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.672 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 17.4 m-85 -108.4 131.13 55.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.0 ttt-85 -40.3 -62.3 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.262 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -104.55 162.01 21.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.601 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.1 Cg_endo -75.06 -47.25 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.65 -41.81 98.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.558 ' O ' HG23 ' A' ' 63' ' ' VAL . 50.0 m-20 -59.44 -24.95 63.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.672 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -83.91 -50.6 7.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -57.28 -35.38 69.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -20.05 63.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.302 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.626 HG21 ' CE2' ' A' ' 54' ' ' PHE . 19.9 t -94.0 -42.8 13.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 64' ' ' LEU . 9.7 mt -61.94 -40.07 94.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.53 -30.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' LEU . 10.6 tt0 -92.79 112.28 24.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.09 0.99 19.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.417 ' O ' ' CD2' ' A' ' 69' ' ' HIS . 10.5 t70 -118.83 145.19 45.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.739 ' CD2' HD23 ' A' ' 78' ' ' LEU . 92.1 m-70 -156.88 122.27 4.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.613 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -121.71 120.13 33.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.653 ' HB3' HD21 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -144.37 101.34 3.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.533 ' CD2' ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER 69.54 62.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.573 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.569 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 39.74 85.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 171.53 126.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.748 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -84.45 92.81 8.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.684 HD13 ' N ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -71.08 147.42 48.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 m -109.27 99.42 8.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.016 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.949 HD13 HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -86.66 138.6 31.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.542 ' O ' HG13 ' A' ' 11' ' ' VAL . 58.2 mtt-85 -152.49 158.15 33.44 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 119.5 5.66 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.496 1.787 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.625 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -67.25 168.63 10.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.625 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.504 1.792 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.591 HG21 ' CA ' ' A' ' 57' ' ' PRO . 9.4 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.47 144.4 44.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.244 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.549 HG13 HD21 ' A' ' 64' ' ' LEU . 85.2 t -130.41 128.97 64.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -86.51 107.52 18.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.012 HG22 HD13 ' A' ' 78' ' ' LEU . 65.5 t -88.51 149.53 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.411 ' HB2' ' CB ' ' A' ' 77' ' ' SER . 13.7 mmt180 -132.45 169.94 15.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 49.97 69.63 1.01 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.77 HD13 HD13 ' A' ' 25' ' ' LEU . 12.6 tp -124.73 114.37 26.88 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.604 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.99 154.67 42.72 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -37.33 2.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.78 -44.59 19.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.6 t -78.07 120.8 82.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.092 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.456 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.3 Cg_endo -75.0 156.11 42.96 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.502 1.79 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.573 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 0.1 OUTLIER -59.42 -33.41 71.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -45.73 -54.39 7.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.713 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -64.21 -52.08 60.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.849 HD12 HD22 ' A' ' 71' ' ' LEU . 3.0 tp -39.85 -44.2 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 30' ' ' GLU . 16.4 p -80.18 -43.76 20.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.765 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -52.46 -36.64 55.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.561 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 32.4 t80 -73.61 -53.62 10.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.664 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 13.4 m-85 -62.93 -26.29 68.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 26' ' ' THR . 12.8 mt-10 -77.59 -44.73 27.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.425 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -65.39 146.24 55.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -80.51 -62.2 1.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.348 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.54 -50.33 7.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.561 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 9.4 mmm180 -48.32 -67.36 0.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 110.276 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.85 -73.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.993 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 119.24 75.53 0.47 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.54 -83.35 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 172.03 -160.08 31.54 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.415 ' HG2' ' CD ' ' A' ' 55' ' ' ARG . 18.4 Cg_endo -74.97 158.4 42.34 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.712 ' CG2' HD21 ' A' ' 52' ' ' LEU . 24.7 t -106.74 125.9 62.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -70.49 -50.74 34.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.9 t -148.61 177.89 9.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.688 ' CE3' HD12 ' A' ' 52' ' ' LEU . 16.4 t-105 -151.04 137.94 19.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 107.984 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -134.53 102.07 5.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.5 ' HD2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -75.21 117.53 17.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 45' ' ' ARG . 25.7 mt -115.31 -170.41 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.78 109.56 2.61 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.5 t 49.76 71.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 136.97 -127.85 4.19 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.35 149.32 6.08 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.4 t -86.52 124.47 40.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 0.774 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.712 HD21 ' CG2' ' A' ' 40' ' ' VAL . 1.5 tt -109.78 142.98 40.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 9' ' ' VAL . 86.5 m -108.14 120.36 42.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.995 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 13.9 m-85 -93.8 128.12 39.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.439 ' HA ' HD12 ' A' ' 41' ' ' LEU . 31.3 ttt180 -38.38 -60.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -106.77 161.91 21.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.591 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.3 Cg_endo -75.01 -47.29 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.53 96.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.461 ' O ' HG23 ' A' ' 63' ' ' VAL . 40.0 m-20 -56.67 -36.49 69.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.995 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -77.31 -49.2 15.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -48.97 -51.03 32.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.7 ttt85 -46.15 -48.26 17.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.811 HG21 ' CE2' ' A' ' 54' ' ' PHE . 23.5 t -60.17 -39.3 80.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.549 HD21 HG13 ' A' ' 11' ' ' VAL . 16.0 mt -65.87 -46.01 79.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.84 -30.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.441 ' N ' ' C ' ' A' ' 64' ' ' LEU . 1.9 tt0 -99.56 110.29 22.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.37 1.88 20.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.588 ' O ' ' CD2' ' A' ' 69' ' ' HIS . 11.2 t70 -118.77 140.85 49.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.725 ' CD2' HD23 ' A' ' 78' ' ' LEU . 92.1 m-70 -161.77 135.17 6.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 109.596 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 71' ' ' LEU . 1.8 tt0 -129.57 139.34 51.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.849 HD22 HD12 ' A' ' 25' ' ' LEU . 3.8 tp -147.74 104.76 3.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 51.43 70.81 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.602 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.582 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 46.09 88.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 171.2 143.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -102.73 96.52 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.712 ' H ' HD22 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -78.27 137.55 38.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.411 ' CB ' ' HB2' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -108.76 107.17 17.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.001 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 1.012 HD13 HG22 ' A' ' 13' ' ' VAL . 1.5 mm? -88.19 134.11 33.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -152.64 162.98 24.98 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 118.02 5.11 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.531 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -66.99 165.43 26.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.531 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.121 0 O-C-N 124.556 1.819 . . . . 0.0 111.041 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.523 HG21 ' CA ' ' A' ' 57' ' ' PRO . 4.2 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -136.67 145.29 44.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 84.8 t -128.91 120.11 51.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.476 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 67.0 tt0 -74.43 108.77 7.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.951 HG22 HD13 ' A' ' 78' ' ' LEU . 98.6 t -89.73 132.5 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 77' ' ' SER . 1.0 OUTLIER -131.9 146.99 52.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.414 ' N ' ' HG3' ' A' ' 14' ' ' ARG . . . 73.95 69.99 1.31 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.678 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.6 OUTLIER -134.59 126.1 17.93 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.678 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.5 Cg_endo -74.96 151.59 39.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.565 1.824 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -75.03 -43.53 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.461 1.769 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.26 -30.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.404 HG11 ' HG ' ' A' ' 71' ' ' LEU . 31.4 t -88.16 122.19 70.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.477 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.2 Cg_endo -75.01 -178.3 4.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' GLU . 28.7 m-20 -78.53 -46.32 19.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 22' ' ' ASP . 1.0 OUTLIER -35.16 -49.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.765 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -68.32 -52.8 29.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.726 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -39.87 -39.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.5 p -84.45 -50.8 7.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.379 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.781 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -41.85 -39.32 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.492 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -72.17 -69.66 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.594 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 17.9 m-85 -47.28 -42.13 20.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -67.65 -44.29 78.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -59.68 134.47 57.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.6 1.188 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -80.23 -48.36 13.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -35.45 15.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -96.2 -30.35 13.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -151.61 86.87 1.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.77 64.89 0.31 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -117.08 -66.83 0.37 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.81 -164.46 34.18 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 178.03 7.81 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.6 t -122.02 120.9 62.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.438 ' CD1' ' HA ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -64.69 -48.16 75.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.6 t -158.55 174.85 14.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.981 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.675 ' CE3' HD12 ' A' ' 52' ' ' LEU . 10.8 t-105 -147.41 135.23 21.16 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -128.51 111.74 13.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.53 ' C ' HD22 ' A' ' 46' ' ' LEU . 1.1 ttp85 -91.18 113.39 25.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.53 HD22 ' C ' ' A' ' 45' ' ' ARG . 2.9 mm? -109.78 42.56 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.82 132.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.5 m 43.22 55.25 4.73 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.65 -142.81 14.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 137.63 177.56 15.25 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.2 t -100.83 128.28 53.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.792 . . . . 0.0 109.252 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.675 HD12 ' CE3' ' A' ' 43' ' ' TRP . 2.0 tt -110.92 150.53 29.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.5 m -118.68 126.45 51.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.417 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.736 ' CE2' HG21 ' A' ' 63' ' ' VAL . 16.7 m-85 -100.53 136.51 40.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.438 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 32.7 ttt180 -45.34 -60.11 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -107.9 161.17 24.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.523 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.4 Cg_endo -74.98 -46.71 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.556 1.819 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.84 97.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.469 ' O ' HG23 ' A' ' 63' ' ' VAL . 92.2 m-20 -60.65 -23.55 64.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.684 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -85.89 -37.65 18.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.22 -38.48 88.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.401 ' NE ' ' HA ' ' A' ' 62' ' ' ARG . 0.6 OUTLIER -59.32 -18.0 34.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 110.331 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.736 HG21 ' CE2' ' A' ' 54' ' ' PHE . 16.4 t -93.0 -49.3 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.44 ' C ' ' N ' ' A' ' 66' ' ' GLN . 10.5 mt -57.53 -39.63 77.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.56 -30.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.459 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 5.0 tt0 -91.56 115.85 28.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.6 3.46 21.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -129.92 150.16 51.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.242 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.734 ' CD2' HD23 ' A' ' 78' ' ' LEU . 53.0 m-70 -153.06 140.21 19.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.568 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -128.08 123.52 34.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.726 ' CD2' HD12 ' A' ' 25' ' ' LEU . 18.7 tp -144.05 106.33 4.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.236 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.545 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER 54.71 60.53 3.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.614 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.636 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 47.69 90.54 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 167.02 143.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.408 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 1.8 pt20 -95.09 107.67 19.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.725 ' H ' HD22 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -90.36 122.07 32.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 14' ' ' ARG . 7.3 m -90.1 101.93 14.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.951 HD13 HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -86.69 137.26 32.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 12' ' ' GLU . 16.2 mmt85 -148.24 158.83 40.77 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 112.82 3.65 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.675 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -66.58 170.57 5.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.675 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.576 HG11 ' HA ' ' A' ' 57' ' ' PRO . 2.2 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -135.46 145.58 47.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.0 t -131.07 129.94 63.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 40.9 tt0 -87.74 106.4 18.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.992 HG22 HD13 ' A' ' 78' ' ' LEU . 78.8 t -91.56 145.83 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.552 ' HG2' ' CB ' ' A' ' 77' ' ' SER . 1.4 ptm180 -134.82 154.6 51.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.352 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.52 ' O ' HD13 ' A' ' 76' ' ' LEU . . . 59.13 72.31 0.63 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.612 HD22 HD11 ' A' ' 25' ' ' LEU . 3.6 tp -129.39 116.6 18.61 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.529 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.4 Cg_endo -75.03 151.2 39.09 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -75.06 -37.65 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.797 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.32 -34.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.2 t -84.3 120.76 74.9 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.408 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.4 Cg_endo -74.99 149.24 36.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.472 1.775 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -53.01 -34.37 56.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -45.01 -54.83 6.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.665 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -65.21 -51.36 61.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.612 HD11 HD22 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -40.07 -41.03 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.9 p -84.08 -47.32 11.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.365 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.773 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.41 -36.17 21.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.461 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 28.5 t80 -75.08 -58.38 3.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.643 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 10.2 m-85 -57.49 -29.94 64.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -75.58 -38.04 59.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.436 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -65.28 146.26 55.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.46 -53.52 5.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 33' ' ' ARG . 12.3 mtp-105 -56.44 -45.72 80.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.249 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 2.5 mmp_? -51.19 -63.37 1.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 p -118.02 -64.87 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.21 54.01 0.14 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.3 -149.46 7.97 Favored Glycine 0 CA--C 1.529 0.933 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.66 -147.75 4.92 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.96 6.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 53' ' ' THR . 58.5 t -81.71 139.42 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.477 HD23 ' HG3' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -79.33 -56.6 4.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.69 179.22 8.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.758 ' CE3' HD12 ' A' ' 52' ' ' LEU . 10.3 t-105 -149.5 133.82 17.4 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.22 97.43 5.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.538 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 5.1 ttp85 -76.31 124.75 28.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.2 mt -121.73 -168.94 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.246 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.97 111.63 4.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.437 1.086 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t 47.79 60.79 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 147.01 -136.73 6.28 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 132.87 153.04 7.11 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 20.6 t -90.37 130.53 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.758 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.5 tt -110.88 154.27 24.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.563 ' O ' HG13 ' A' ' 40' ' ' VAL . 26.9 m -117.35 123.14 45.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.401 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.562 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 13.1 m-85 -102.95 108.8 20.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.477 ' HG3' HD23 ' A' ' 41' ' ' LEU . 61.4 ttt180 -38.51 -42.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 0.8 OUTLIER -115.24 130.58 24.14 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.576 ' HA ' HG11 ' A' ' 9' ' ' VAL . 18.5 Cg_endo -74.94 -34.5 3.85 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.23 98.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.757 ' O ' HG23 ' A' ' 63' ' ' VAL . 11.2 m-20 -72.3 -34.48 68.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.562 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -64.34 -43.39 94.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -52.5 -52.72 53.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.73 -25.66 19.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 59' ' ' ASP . 17.4 t -82.74 -39.9 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 64' ' ' LEU . 12.1 mt -70.84 -40.86 72.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -38.7 -33.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.423 ' N ' ' C ' ' A' ' 64' ' ' LEU . 4.4 tt0 -98.12 111.89 24.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.81 0.31 21.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.588 ' O ' ' CD2' ' A' ' 69' ' ' HIS . 2.8 t70 -121.34 141.89 50.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.702 ' CD2' HD23 ' A' ' 78' ' ' LEU . 79.5 m-70 -157.86 129.68 6.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.623 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.94 132.34 56.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.576 ' CD2' HD12 ' A' ' 25' ' ' LEU . 4.6 tp -148.49 103.76 3.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.468 ' NE2' HD13 ' A' ' 24' ' ' LEU . 0.8 OUTLIER 60.76 71.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.6 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 38.65 85.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 174.23 146.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -100.47 97.95 8.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.705 HD22 ' N ' ' A' ' 76' ' ' LEU . 0.4 OUTLIER -88.92 124.73 34.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.552 ' CB ' ' HG2' ' A' ' 14' ' ' ARG . 0.5 OUTLIER -99.79 107.08 19.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.992 HD13 HG22 ' A' ' 13' ' ' VAL . 1.9 mm? -86.57 132.43 33.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 12' ' ' GLU . 4.0 mmp_? -147.75 159.49 40.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 114.9 4.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.627 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -67.08 168.91 9.54 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.627 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.532 1.806 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 p -124.69 151.93 44.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.76 . . . . 0.0 109.992 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 p -165.75 122.32 1.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.962 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.49 -159.67 16.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.7 m -82.98 149.09 27.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 0.0 110.01 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.1 155.13 36.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.962 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' H ' ' HB2' ' A' ' 85' ' ' ALA . . . -49.53 155.1 2.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.69 -123.81 3.09 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.666 HG21 ' HA ' ' A' ' 57' ' ' PRO . 28.6 t -117.34 121.63 68.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.56 144.2 51.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 79' ' ' ARG . 60.6 t -127.67 125.67 65.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.457 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 6.3 tm-20 -74.31 121.26 21.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.976 HG22 HD13 ' A' ' 78' ' ' LEU . 81.9 t -101.95 133.54 45.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.21 146.91 51.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.48 ' O ' HD13 ' A' ' 76' ' ' LEU . . . 70.78 69.42 1.39 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.695 HD13 ' CD1' ' A' ' 25' ' ' LEU . 1.2 tp -133.36 121.74 16.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.553 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.2 Cg_endo -74.95 147.69 34.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.99 -26.74 10.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.777 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.38 -20.12 11.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.242 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.403 HG22 ' HB3' ' A' ' 72' ' ' HIS . 20.8 t -100.4 123.14 47.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 155.35 42.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.502 1.79 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.584 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -58.36 -36.3 73.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.514 ' HG2' HD23 ' A' ' 24' ' ' LEU . 12.9 tt0 -42.97 -54.13 4.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.733 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -65.69 -47.49 75.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.751 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -42.12 -46.65 4.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.7 p -77.09 -49.47 15.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.389 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.789 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -45.25 -45.2 11.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.511 ' CB ' HD13 ' A' ' 71' ' ' LEU . 6.0 t80 -62.4 -62.61 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.589 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 23.3 m-85 -54.32 -40.81 68.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.422 ' OE2' ' HA ' ' A' ' 39' ' ' PRO . 6.5 mt-10 -65.22 -29.31 70.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.68 120.53 16.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.12 -14.86 58.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -82.97 -42.53 17.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.47 -40.63 57.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.03 -74.86 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.042 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.09 39.54 0.48 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.44 ' CA ' ' OD1' ' A' ' 59' ' ' ASP . . . -106.77 -120.71 4.65 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.28 -145.24 4.48 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.422 ' HA ' ' OE2' ' A' ' 30' ' ' GLU . 18.3 Cg_endo -74.97 143.13 28.79 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.784 HG13 ' O ' ' A' ' 53' ' ' THR . 75.8 t -102.51 130.65 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -64.45 -58.51 6.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.253 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.4 t -153.67 178.6 9.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.83 ' CE3' HD12 ' A' ' 52' ' ' LEU . 7.7 t-105 -150.55 136.6 18.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 107.987 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -125.49 97.69 5.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.561 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 38.9 ttp85 -75.71 128.22 34.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.9 mt -116.66 -169.28 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.59 -92.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.5 m -101.66 62.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 142.27 -129.94 4.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.57 157.86 7.31 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 20.2 t -86.97 127.62 40.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.83 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.6 tt -109.91 150.58 28.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.784 ' O ' HG13 ' A' ' 40' ' ' VAL . 84.9 m -119.75 130.13 54.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.381 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.772 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 10.7 m-85 -103.91 121.29 42.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.478 ' HA ' HD12 ' A' ' 41' ' ' LEU . 5.6 ttt85 -38.6 -56.85 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -98.22 150.68 36.98 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.078 . . . . 0.0 110.283 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.666 ' HA ' HG21 ' A' ' 9' ' ' VAL . 18.4 Cg_endo -75.05 -51.0 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.786 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.19 81.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.485 ' O ' HG23 ' A' ' 63' ' ' VAL . 1.0 OUTLIER -53.79 -44.82 70.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.772 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -57.14 -37.87 72.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -75.65 -35.56 60.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -25.4 36.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.67 HG21 ' CE2' ' A' ' 54' ' ' PHE . 18.2 t -87.76 -51.05 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 64' ' ' LEU . 11.3 mt -52.44 -37.78 57.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.32 -40.15 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.596 ' O ' ' CE1' ' A' ' 69' ' ' HIS . 2.3 tt0 -83.64 120.33 25.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.18 4.15 21.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -124.7 139.13 54.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.602 ' CD2' HD23 ' A' ' 78' ' ' LEU . 20.5 m-70 -148.26 124.78 11.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.62 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.55 134.61 52.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.751 ' CD2' HD12 ' A' ' 25' ' ' LEU . 1.7 tp -152.94 109.21 3.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.501 ' NE2' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER 57.06 68.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.592 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.551 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 37.85 87.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 172.55 149.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 0.793 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -101.15 106.46 17.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.745 HD22 ' N ' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -93.58 125.78 38.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.3 m -97.61 100.16 11.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.976 HD13 HG22 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -86.64 145.3 26.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.526 ' O ' HG13 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -152.86 163.23 24.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 115.17 4.21 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.457 ' HB2' ' N ' ' A' ' 12' ' ' GLU . . . -67.42 153.84 94.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 167.95 25.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.0 40.17 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.0 ttm-85 177.82 124.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.403 ' HB2' ' H ' ' A' ' 7' ' ' GLY . . . -149.11 154.94 39.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.504 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 18.2 Cg_endo -75.01 132.46 15.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 86' ' ' PRO . . . 175.47 124.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -129.16 69.35 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.22 172.62 12.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 90' ' ' LEU . 7.2 tt -155.66 78.64 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.402 HD23 ' N ' ' A' ' 91' ' ' LEU . 1.2 mt -94.6 107.28 19.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.54 115.42 15.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 121.96 173.9 14.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.54 159.05 52.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 167.12 27.71 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -176.91 3.12 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 156.79 101.07 0.18 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 39.4 p -135.58 175.14 9.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.52 165.01 5.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -169.85 159.94 32.77 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.569 1.168 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 179.47 6.06 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.3 m -118.58 170.12 9.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.8 t -146.25 168.56 20.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -136.78 110.02 7.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.8 p -118.72 128.83 54.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.62 -167.43 25.56 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.1 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t 56.2 81.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -136.49 99.61 4.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.64 123.99 0.56 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.72 142.39 0.81 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.706 HG11 ' HA ' ' A' ' 57' ' ' PRO . 2.3 t -134.58 136.37 52.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 0.757 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.22 150.63 49.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.423 HG13 HD21 ' A' ' 64' ' ' LEU . 94.5 t -141.31 118.24 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -73.6 113.37 10.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.993 HG22 HD13 ' A' ' 78' ' ' LEU . 81.8 t -95.47 133.5 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.3 OUTLIER -133.78 147.02 51.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.95 67.4 1.74 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.765 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.8 OUTLIER -134.1 127.64 19.18 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.765 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.03 150.3 37.82 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.439 1.757 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -43.31 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.53 -39.13 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.472 HG13 HD12 ' A' ' 24' ' ' LEU . 61.8 t -77.21 124.41 87.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.499 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.1 Cg_endo -75.03 -177.99 3.86 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 23' ' ' GLU . 4.2 p-10 -80.48 -42.93 21.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 22' ' ' ASP . 1.3 pm0 -37.46 -50.06 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.689 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -67.09 -52.77 37.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.799 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -39.68 -37.68 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.0 p -87.06 -49.12 7.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.363 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.772 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -45.93 -30.41 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.411 ' CB ' HD13 ' A' ' 71' ' ' LEU . 43.2 t80 -83.08 -64.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.655 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 12.2 m-85 -51.81 -38.03 54.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -66.62 -46.32 76.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.34 138.09 56.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -88.02 -35.4 17.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.26 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.3 mtm-85 -70.61 -42.9 70.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -63.5 -43.41 97.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.478 ' OG ' HG13 ' A' ' 63' ' ' VAL . 1.2 t -124.44 -78.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.77 50.91 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.34 -149.17 7.11 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.24 -154.05 7.54 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 131.82 14.72 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.427 ' CG1' HD21 ' A' ' 52' ' ' LEU . 37.8 t -83.57 126.74 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.405 HD23 ' HG3' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -64.46 -56.0 17.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.85 179.61 8.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.976 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.65 ' CE3' HD12 ' A' ' 52' ' ' LEU . 10.1 t-105 -147.19 128.89 15.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 108.044 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -120.46 100.59 7.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ttp85 -83.69 113.47 20.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 30.2 mt -88.02 -97.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.36 -90.77 1.61 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 63.0 m -91.08 44.59 1.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 151.71 -111.87 0.51 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.55 170.88 12.79 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.5 t -97.22 129.58 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.65 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.8 tt -109.68 153.37 24.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 9' ' ' VAL . 55.9 m -117.42 123.18 45.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.631 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 16.3 m-85 -101.84 113.15 26.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' HG3' HD23 ' A' ' 41' ' ' LEU . 54.2 ttt-85 -38.82 -49.98 1.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 0.9 OUTLIER -108.07 132.01 21.35 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.706 ' HA ' HG11 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.08 -34.57 3.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.565 1.824 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.58 -44.75 96.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.898 ' O ' HG23 ' A' ' 63' ' ' VAL . 1.4 m-20 -70.66 -34.98 72.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.631 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -63.81 -36.29 83.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -65.88 -51.77 55.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -22.98 5.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.252 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 59' ' ' ASP . 19.5 t -85.74 -44.63 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' A' ' 64' ' ' LEU . 11.6 mt -62.51 -42.18 99.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -38.99 -30.88 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.449 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 1.3 tt0 -93.02 114.53 27.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.86 2.2 20.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -121.5 142.49 50.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.747 ' CD2' HD23 ' A' ' 78' ' ' LEU . 64.5 m-70 -148.11 127.01 12.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.645 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.02 130.36 55.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.856 ' HB3' HD21 ' A' ' 76' ' ' LEU . 42.8 tp -150.24 95.66 2.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.532 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.6 OUTLIER 58.12 60.03 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.579 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.487 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 52.54 82.33 0.04 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.52 1.137 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 175.76 140.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 0.788 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -98.37 95.72 7.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.856 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -77.59 124.83 28.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' ARG . 7.0 m -89.22 101.83 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.993 HD13 HG22 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -86.71 141.32 28.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 12' ' ' GLU . 80.3 mtt180 -152.63 158.01 33.34 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 119.72 5.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.79 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.18 154.26 93.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 113.53 3.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.567 1.825 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 55.57 4.01 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 174.57 108.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -172.37 154.67 3.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 134.37 17.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.532 1.806 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -105.92 85.14 2.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -138.17 109.83 7.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.7 157.68 45.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 91' ' ' LEU . 5.5 mt -122.33 141.12 51.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -40.26 132.22 2.0 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -105.07 140.04 38.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 110.342 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 160.12 90.86 0.08 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -104.53 154.8 38.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 172.99 15.28 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.776 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.6 5.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.502 1.79 . . . . 0.0 111.054 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -91.91 157.43 24.33 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.434 1.084 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.8 m -118.27 144.36 45.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 110.366 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.7 m -39.44 144.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 167.71 97.49 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.113 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 169.23 23.08 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.428 1.752 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 t -119.75 164.91 15.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.133 . . . . 0.0 109.979 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.5 m -153.19 168.85 24.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 t -174.23 132.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.59 -57.96 1.95 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.17 -170.27 13.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 p -140.0 159.48 42.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.76 . . . . 0.0 110.034 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 t -166.99 129.14 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.72 137.97 17.5 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.475 1.109 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.81 -175.73 22.25 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.65 ' O ' HG23 ' A' ' 53' ' ' THR . 2.1 t -141.06 142.81 29.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.253 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -133.13 150.13 52.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.696 HG13 HD21 ' A' ' 64' ' ' LEU . 87.0 t -141.26 116.65 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.91 115.59 15.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.344 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.943 HG22 HD13 ' A' ' 78' ' ' LEU . 71.6 t -95.74 143.09 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.94 149.22 52.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.3 66.93 2.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.662 HD22 HD11 ' A' ' 25' ' ' LEU . 3.6 tp -128.21 117.4 20.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.542 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.1 Cg_endo -75.04 147.72 34.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -74.98 -37.15 2.16 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.462 1.77 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.37 -28.48 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' A' ' 18' ' ' PRO . 21.5 t -87.57 123.61 69.16 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 153.48 42.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -57.36 -32.76 67.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -46.09 -54.67 8.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.683 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -65.24 -49.6 69.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.674 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -40.05 -44.59 1.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.432 ' H ' ' HG1' ' A' ' 26' ' ' THR . 66.6 p -80.78 -51.75 8.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.463 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.781 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -43.06 -33.13 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -79.32 -67.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.492 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 13.6 m-85 -49.75 -30.97 10.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 111.044 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -71.83 -45.92 59.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.341 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -64.33 143.38 57.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -30.49 17.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -74.41 -32.24 62.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.348 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -74.14 -39.11 63.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.321 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.99 -66.45 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 110.037 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.86 52.11 0.21 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.75 -140.42 5.6 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.02 -151.67 5.53 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 133.44 16.57 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.53 1.805 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.45 ' CG1' HD21 ' A' ' 52' ' ' LEU . 45.5 t -90.13 128.19 42.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.402 HD23 ' HG3' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -67.54 -55.78 12.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.87 179.28 9.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.608 ' CE3' HD12 ' A' ' 52' ' ' LEU . 7.4 t-105 -145.47 111.04 5.4 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.453 ' HG2' HD21 ' A' ' 46' ' ' LEU . 1.4 tt0 -98.61 102.06 13.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.82 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -82.88 122.59 28.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.82 HD22 ' C ' ' A' ' 45' ' ' ARG . 3.3 mm? -126.41 91.69 3.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.02 -117.28 8.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.57 1.169 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.5 m -50.71 -79.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -102.92 -106.47 3.05 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.98 177.26 17.8 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.6 t -96.06 130.67 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.608 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.2 tt -109.36 153.49 23.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 9' ' ' VAL . 97.1 m -117.88 126.69 52.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.421 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.587 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 26.0 m-85 -106.83 113.73 27.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 54' ' ' PHE . 51.5 ttt180 -38.2 -54.55 1.38 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.97 130.32 23.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.569 ' CB ' HG21 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.01 -33.66 4.4 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.544 1.813 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.13 -46.62 89.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -40.09 77.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.587 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -57.35 -40.86 78.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -52.56 -51.59 58.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -32.98 50.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 38.7 t -74.95 -34.23 32.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.696 HD21 HG13 ' A' ' 11' ' ' VAL . 13.1 mt -75.36 -47.32 28.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -39.25 -31.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.429 ' N ' ' C ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -97.32 104.99 17.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.31 0.68 18.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -116.98 135.74 53.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.248 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.874 ' CD2' HD23 ' A' ' 78' ' ' LEU . 72.1 m-70 -151.15 144.05 24.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.567 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -128.21 130.3 47.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.674 ' CD2' HD12 ' A' ' 25' ' ' LEU . 13.8 tp -149.5 99.38 2.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.232 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.525 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.5 OUTLIER 59.49 68.59 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.621 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.572 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 40.89 87.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 171.58 146.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 0.794 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.47 ' C ' HD13 ' A' ' 76' ' ' LEU . 11.0 pt20 -99.42 107.88 20.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.738 ' H ' HD22 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -94.23 116.93 29.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.8 112.99 23.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.943 HD13 HG22 ' A' ' 13' ' ' VAL . 1.5 mm? -94.14 137.66 33.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -152.65 160.72 30.76 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 117.38 4.88 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.12 155.83 89.46 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 113.44 3.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 149.95 37.41 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.508 1.794 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 173.09 -58.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -178.12 150.3 0.73 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 155.84 42.96 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.441 1.758 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -101.08 135.52 42.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.578 1.174 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.15 148.94 24.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.4 108.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 91' ' ' LEU . 0.9 OUTLIER -133.03 122.24 23.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -40.29 154.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -133.74 99.79 4.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.84 134.41 12.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -88.08 160.99 45.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 171.23 18.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.46 1.769 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 168.28 25.18 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.508 1.794 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -87.87 -143.65 8.79 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.3 m -156.2 140.88 16.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 0.711 . . . . 0.0 110.413 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.19 143.4 3.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 160.11 163.89 14.33 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 179.78 5.76 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.7 p -157.62 148.02 20.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 59.4 p -150.75 157.84 43.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.04 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.01 -58.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 109.987 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.55 149.62 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.033 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.2 -169.55 18.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 t -145.79 119.5 9.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 0.743 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.89 147.73 10.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.13 -115.45 2.75 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -121.97 -138.89 5.49 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.566 HG11 ' HA ' ' A' ' 57' ' ' PRO . 22.1 t -120.89 118.65 57.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 0.734 . . . . 0.0 109.276 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.82 148.44 50.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 88.1 t -131.38 119.07 42.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.456 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 18.2 tt0 -75.53 111.43 10.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.027 HG22 HD13 ' A' ' 78' ' ' LEU . 75.5 t -94.37 134.42 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -134.2 146.49 50.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.74 67.54 1.72 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.642 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.7 OUTLIER -133.01 125.03 18.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.642 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.4 Cg_endo -74.95 147.52 34.28 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.1 Cg_endo -75.07 -29.36 8.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.4 -26.68 13.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.437 HG11 ' HG ' ' A' ' 71' ' ' LEU . 24.3 t -91.83 122.47 65.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.327 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.454 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.2 Cg_endo -75.0 162.29 37.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -63.26 -39.54 94.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.443 ' HG2' HD23 ' A' ' 24' ' ' LEU . 6.1 tt0 -40.4 -52.78 2.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.724 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -66.93 -49.17 66.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.766 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -40.15 -43.94 1.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 49.5 p -81.04 -52.22 7.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.417 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.778 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -42.03 -33.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -79.66 -63.37 1.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.521 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 15.1 m-85 -53.98 -49.54 68.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -50.44 -51.61 45.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.239 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.449 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 3.9 t-20 -56.35 144.79 29.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.25 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -83.1 -57.93 3.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -47.47 -47.38 27.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.449 ' CG ' ' HB3' ' A' ' 31' ' ' ASN . 18.0 mmm180 -53.21 -63.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.7 p -116.61 -68.11 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 130.01 59.48 0.1 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.14 -148.76 6.49 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.71 -149.45 5.36 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 97.02 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.553 1.818 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.2 t -50.24 122.86 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -56.83 16.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.0 179.04 9.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.844 ' CE3' HD12 ' A' ' 52' ' ' LEU . 8.0 t-105 -151.21 111.66 4.18 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -99.86 97.25 8.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.503 ' HG3' ' CZ2' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -73.57 131.46 41.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.554 HD12 ' HA2' ' A' ' 50' ' ' GLY . 81.0 mt -113.9 -169.54 1.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 46' ' ' LEU . . . -35.45 -65.93 0.41 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 m -100.65 -75.43 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.69 -107.51 1.06 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.554 ' HA2' HD12 ' A' ' 46' ' ' LEU . . . 141.97 170.46 12.52 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.525 HG23 HD11 ' A' ' 46' ' ' LEU . 2.9 t -92.92 127.29 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.844 HD12 ' CE3' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -109.69 156.41 20.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.7 m -125.3 133.8 52.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.391 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.758 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 14.5 m-85 -111.53 119.03 37.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -39.04 -55.49 1.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -100.08 150.61 37.04 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.566 ' HA ' HG11 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.06 -51.24 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.524 1.802 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.76 -42.45 93.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.645 ' O ' HG23 ' A' ' 63' ' ' VAL . 45.1 m-20 -59.36 -30.01 68.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.758 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -78.89 -43.06 25.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.371 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.3 -43.25 99.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.351 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -56.92 -17.55 10.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 59' ' ' ASP . 56.6 t -91.51 -44.72 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.496 ' HA ' HD23 ' A' ' 64' ' ' LEU . 10.6 mt -61.98 -38.08 87.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.81 -30.19 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.454 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 1.5 tt0 -92.5 112.79 24.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.88 2.37 20.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -129.06 149.71 50.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.356 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.663 ' CD2' HD23 ' A' ' 78' ' ' LEU . 84.3 m-70 -153.98 137.21 15.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.624 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -124.41 121.96 36.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.766 ' CD2' HD12 ' A' ' 25' ' ' LEU . 12.5 tp -143.93 100.02 3.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.456 ' NE2' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER 64.62 54.46 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.571 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 50.69 77.61 0.12 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -177.92 137.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.324 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -91.32 100.57 13.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.659 ' H ' HD22 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -80.54 130.24 35.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 m -95.64 99.83 11.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 1.027 HD13 HG22 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -86.84 143.11 27.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -152.75 161.09 30.09 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 113.56 3.82 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.514 1.797 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.456 ' HB2' ' N ' ' A' ' 12' ' ' GLU . . . -66.84 160.67 67.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . 18.4 Cg_endo -75.04 156.93 42.86 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 82' ' ' PRO . 18.1 Cg_endo -75.01 55.53 3.98 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.33 110.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.94 151.96 76.58 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 153.36 41.74 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -121.9 120.35 34.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.468 ' C ' HD23 ' A' ' 89' ' ' LEU . 4.1 ttt85 -172.75 117.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.338 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.617 ' H ' HD23 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -166.96 61.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.617 HD23 ' H ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -152.83 89.55 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.7 -67.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 52.63 82.79 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 162.67 157.01 8.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 94' ' ' LEU . 3.5 mm? -95.02 159.79 32.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 168.95 23.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 159.41 41.23 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.793 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 158.78 71.18 0.02 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.0 t -140.68 150.12 43.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 110.402 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.43 139.47 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.06 97.32 0.34 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 104.48 1.91 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.8 t -98.81 122.09 41.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.3 m -162.17 165.77 26.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.966 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 t -159.94 -48.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 109.977 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 m 63.32 -82.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.958 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.47 116.85 2.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 t -109.48 -50.1 3.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.774 . . . . 0.0 110.019 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m 51.99 85.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.73 -101.2 0.15 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.8 170.91 48.47 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.489 HG21 ' CA ' ' A' ' 57' ' ' PRO . 6.1 t -129.57 120.03 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -126.29 144.31 50.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.607 HG13 ' O ' ' A' ' 79' ' ' ARG . 96.2 t -126.77 124.69 65.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.485 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 4.7 tm-20 -75.87 117.66 17.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.9 HG22 HD13 ' A' ' 78' ' ' LEU . 91.1 t -101.13 129.79 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -129.8 145.5 51.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.418 ' O ' HD13 ' A' ' 76' ' ' LEU . . . 77.44 61.25 2.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.543 1.152 . . . . 0.0 111.051 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.615 HD13 ' CD1' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -132.9 123.02 17.9 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 109.334 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.517 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.4 Cg_endo -75.0 149.17 36.27 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.799 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.5 Cg_endo -74.91 -29.87 7.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.515 1.797 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.99 -30.85 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t -87.39 128.31 55.54 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.4 24.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -76.06 -12.52 60.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.15 -46.87 75.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.34 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.656 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -72.13 -51.61 20.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.615 ' CD1' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -39.14 -38.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' GLU . 29.5 p -85.6 -50.89 6.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.357 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.771 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -44.05 -34.38 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.472 ' CB ' HD13 ' A' ' 71' ' ' LEU . 22.6 t80 -76.97 -62.22 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.612 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 15.7 m-85 -57.38 -17.76 14.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' THR . 2.0 mt-10 -86.5 -43.18 12.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.47 124.46 23.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -24.3 54.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -48.43 17.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -66.97 -49.32 65.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' A' ' 36' ' ' GLY . 0.4 OUTLIER -102.95 -82.25 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.404 ' N ' ' OG ' ' A' ' 35' ' ' SER . . . 123.91 61.42 0.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.437 ' HA3' ' CG2' ' A' ' 63' ' ' VAL . . . -142.07 -109.91 0.77 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.76 -153.56 7.13 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 156.16 42.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.558 1.82 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 71.8 t -110.99 125.06 68.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -66.44 -55.08 17.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 t -157.26 178.92 9.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.627 ' CE3' HD12 ' A' ' 52' ' ' LEU . 10.4 t-105 -146.75 140.41 25.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 107.982 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.608 ' HG2' HD21 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -128.49 111.35 13.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.318 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.569 ' C ' HD22 ' A' ' 46' ' ' LEU . 5.0 ttp180 -86.53 110.96 20.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.608 HD21 ' HG2' ' A' ' 44' ' ' GLN . 3.3 mm? -123.49 92.25 3.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 60.57 -145.85 47.07 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.4 m -65.61 78.31 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . 128.79 -130.07 6.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 138.27 173.26 12.88 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.5 t -102.99 127.51 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.318 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.627 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.1 tt -109.59 151.1 27.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.9 m -119.59 128.2 53.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.861 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 22.7 m-85 -104.93 126.68 52.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.524 ' HA ' HD12 ' A' ' 41' ' ' LEU . 48.4 ttt85 -40.11 -60.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -102.4 157.21 34.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.489 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.3 Cg_endo -75.0 -52.86 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.445 1.761 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.81 -38.69 82.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -66.72 -19.11 65.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.861 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -93.3 -32.29 14.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.426 ' HG2' ' N ' ' A' ' 62' ' ' ARG . 3.5 pt-20 -72.42 -39.16 68.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.426 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -58.08 -19.62 33.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.513 HG21 ' CE2' ' A' ' 54' ' ' PHE . 22.9 t -90.0 -46.66 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.362 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.521 ' HA ' HD23 ' A' ' 64' ' ' LEU . 10.4 mt -59.3 -40.11 85.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.73 -30.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.439 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 8.6 tt0 -86.32 116.31 24.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.16 2.74 19.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 109.287 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -129.15 147.3 50.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.71 ' CG ' HD23 ' A' ' 78' ' ' LEU . 75.7 m-70 -153.04 126.23 8.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.568 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.87 129.38 50.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.61 ' CD2' HD12 ' A' ' 25' ' ' LEU . 2.2 tp -149.49 105.73 3.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.571 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER 61.41 68.53 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 109.612 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.58 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 37.64 88.74 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.454 1.096 . . . . 0.0 111.019 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 170.68 148.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.367 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -101.1 105.8 17.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.722 HD22 ' N ' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -91.46 131.42 36.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.0 m -98.38 99.91 11.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.9 HD13 HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -86.73 139.0 31.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.607 ' O ' HG13 ' A' ' 11' ' ' VAL . 2.0 mtt85 -152.76 162.49 26.29 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 114.63 4.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.55 1.816 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.677 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -67.22 170.47 6.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.677 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.5 Cg_endo -74.96 149.51 36.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.523 1.802 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 82' ' ' PRO . 18.2 Cg_endo -74.98 160.01 40.74 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.36 86.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 60.78 154.42 0.1 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -49.34 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -169.61 68.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.35 61.15 0.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.51 -67.95 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 90' ' ' LEU . 1.5 mm? 51.93 82.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -60.14 144.9 48.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -83.51 125.41 31.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.26 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -141.47 112.35 0.76 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -158.07 151.06 18.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 168.63 24.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 153.61 41.64 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -164.48 103.42 0.21 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 39.4 p -142.92 115.18 8.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 110.415 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.3 t -144.65 155.6 43.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.039 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 49.45 80.91 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.524 1.14 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 176.55 9.78 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.35 141.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.035 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.1 t -176.03 136.51 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.64 -58.01 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 0.805 . . . . 0.0 110.056 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.1 p -96.07 125.84 40.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.998 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.07 171.84 26.49 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.51 86.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.971 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.46 -55.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.91 -68.94 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.556 1.16 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -129.0 -166.93 12.05 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.729 HG21 ' HA ' ' A' ' 57' ' ' PRO . 41.1 t -118.5 124.79 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -133.47 143.81 49.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 79' ' ' ARG . 89.1 t -128.34 120.63 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.415 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -73.69 114.61 12.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.265 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.004 HG22 HD13 ' A' ' 78' ' ' LEU . 96.3 t -95.62 135.18 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 77' ' ' SER . 2.6 ttm180 -134.29 146.94 50.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.3 65.24 2.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.695 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.4 OUTLIER -129.39 126.68 22.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.556 0.798 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.695 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.97 151.38 39.59 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.53 1.805 . . . . 0.0 111.045 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.97 -43.79 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.515 1.797 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.5 -37.44 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.506 HG11 ' HG ' ' A' ' 71' ' ' LEU . 40.5 t -80.57 122.21 82.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.475 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.6 Cg_endo -74.9 179.91 5.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' GLU . 4.7 p-10 -76.89 -45.94 26.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 22' ' ' ASP . 1.1 pm0 -35.3 -51.05 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.761 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -66.95 -52.75 39.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.731 HD22 ' CE2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -39.67 -37.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.8 p -87.95 -49.08 7.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.426 1.079 . . . . 0.0 110.385 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.775 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -45.91 -30.21 1.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.402 ' CE1' ' O ' ' A' ' 70' ' ' GLU . 58.0 t80 -82.81 -64.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.655 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 13.3 m-85 -54.04 -27.25 31.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -75.74 -45.44 36.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.65 139.17 57.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 33' ' ' ARG . 10.0 ptt180 -83.94 -37.08 22.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -63.84 -49.64 72.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -58.24 -58.95 6.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.527 ' OG ' HG13 ' A' ' 63' ' ' VAL . 2.9 t -104.86 -82.07 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.53 79.91 0.33 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.554 1.159 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.14 -89.52 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.04 -153.55 11.76 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.93 21.53 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.7 t -121.21 123.45 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -54.63 23.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.86 179.5 9.05 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.731 ' CE2' HD22 ' A' ' 25' ' ' LEU . 8.6 t-105 -147.01 122.24 10.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 108.01 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.462 ' HG2' HD21 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -111.59 104.56 12.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.877 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -82.9 121.01 26.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 110.338 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.877 HD22 ' C ' ' A' ' 45' ' ' ARG . 3.4 mm? -130.24 87.6 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.35 -117.58 4.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 97.2 m -81.84 -51.27 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.71 -120.49 4.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 139.14 166.42 10.6 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.3 t -89.8 124.04 42.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.773 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.632 HD12 ' CE3' ' A' ' 43' ' ' TRP . 3.3 tt -109.88 153.26 24.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 9' ' ' VAL . 54.3 m -120.87 138.05 54.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.674 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 16.0 m-85 -112.3 125.24 53.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.0 ttt85 -38.13 -60.77 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -99.39 155.7 36.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.729 ' HA ' HG21 ' A' ' 9' ' ' VAL . 18.3 Cg_endo -74.99 -53.16 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.556 1.819 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.81 -39.52 89.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -61.22 -25.17 66.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.674 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -81.62 -53.59 6.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -56.4 -36.66 69.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -27.44 40.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.571 HG12 ' HE1' ' A' ' 69' ' ' HIS . 41.5 t -85.91 -44.92 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 64' ' ' LEU . 9.9 mt -56.75 -38.88 73.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.45 -36.14 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.443 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 0.2 OUTLIER -88.0 116.26 26.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.14 2.56 20.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -125.72 145.22 50.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.669 ' CD2' HD23 ' A' ' 78' ' ' LEU . 65.8 m-70 -148.67 134.22 18.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.579 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.402 ' O ' ' CE1' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -119.43 132.26 55.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.711 ' HB3' HD21 ' A' ' 76' ' ' LEU . 43.6 tp -152.53 95.62 2.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 60.45 61.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.557 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 48.52 76.84 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -177.74 132.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.746 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -87.93 97.49 10.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.711 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -78.57 125.4 29.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.142 . . . . 0.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 14' ' ' ARG . 13.7 m -90.93 101.05 13.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 1.004 HD13 HG22 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -86.57 143.9 27.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.478 ' O ' HG13 ' A' ' 11' ' ' VAL . 31.9 mtt-85 -152.76 158.44 33.11 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.132 . . . . 0.0 110.255 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 115.53 4.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.485 1.782 . . . . 0.0 111.044 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.415 ' HB2' ' N ' ' A' ' 12' ' ' GLU . . . -66.96 158.09 82.14 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.07 39.46 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 167.05 27.91 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.784 . . . . 0.0 111.055 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.73 95.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -119.53 152.09 52.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.237 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 154.95 43.17 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -174.62 -73.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -174.5 134.58 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.14 138.98 48.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -159.04 126.45 4.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.52 151.19 33.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -107.83 161.61 14.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -108.8 157.16 15.33 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 3.8 mm? -90.44 144.48 30.86 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.486 0.756 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 94' ' ' LEU . 18.5 Cg_endo -74.96 171.2 18.77 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 176.14 10.3 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 111.002 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -156.91 121.99 1.13 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.66 119.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.0 m -166.81 -178.66 4.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.962 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -145.44 134.0 5.31 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.115 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 159.63 41.2 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.533 1.807 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.5 p -177.1 160.48 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.95 168.17 20.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.64 120.33 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.764 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.05 88.23 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.99 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.19 -165.28 13.63 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.2 -54.93 1.04 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 0.75 . . . . 0.0 110.035 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.48 101.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.83 -130.86 10.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.16 -174.04 42.55 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 53' ' ' THR . 2.0 t -134.33 141.29 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -136.07 144.57 45.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 79' ' ' ARG . 77.5 t -132.32 118.83 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -74.81 116.11 15.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 110.338 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.922 HG22 HD13 ' A' ' 78' ' ' LEU . 88.3 t -103.43 136.99 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.488 ' HG2' ' CB ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -139.06 149.2 44.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.93 42.52 10.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.602 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -111.91 123.47 34.49 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.777 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.602 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.96 147.94 34.8 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.458 1.767 . . . . 0.0 111.035 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.0 -32.98 4.93 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.479 1.779 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.49 -31.78 4.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -87.24 124.42 68.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 161.46 38.8 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.478 1.778 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 26' ' ' THR . 11.9 p-10 -62.84 -39.41 94.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.472 ' HG2' HD23 ' A' ' 24' ' ' LEU . 5.5 tt0 -39.95 -55.75 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.754 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -63.08 -50.78 69.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.709 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -40.31 -42.17 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 22' ' ' ASP . 45.4 p -83.81 -51.15 7.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.432 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.776 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -43.26 -31.91 0.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.351 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.432 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 24.4 t80 -81.65 -65.24 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 15.2 m-85 -51.08 -49.93 59.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -51.58 -50.76 59.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -55.56 147.71 17.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.228 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -64.03 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.8 -51.45 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.432 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 6.8 mmp_? -46.53 -67.08 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 88.3 p -115.24 -72.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.017 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 134.33 60.38 0.07 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.36 -151.65 7.57 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.1 -154.04 6.95 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 97.85 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.002 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.8 t -45.93 119.51 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -58.45 -53.78 54.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.1 t -154.7 172.95 17.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.791 ' CE3' HD12 ' A' ' 52' ' ' LEU . 15.1 t-105 -146.22 130.75 17.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 107.966 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -126.62 97.39 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -71.84 121.35 18.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.8 mt -112.04 -167.94 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -42.85 -87.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.14 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 61.7 m -55.34 -77.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.09 -85.86 1.23 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 145.42 159.57 8.19 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.1 t -86.94 127.73 40.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.791 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -110.03 148.94 30.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.376 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 9' ' ' VAL . 7.7 m -115.39 122.12 44.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.365 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.65 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 9.2 m-85 -98.91 113.3 25.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.457 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 58.2 ttt-85 -38.57 -42.88 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.72 133.73 23.59 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.554 ' CB ' HG21 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.01 -36.12 2.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.09 -37.8 86.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.594 ' O ' HG23 ' A' ' 63' ' ' VAL . 63.3 m-20 -78.71 -24.51 44.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.65 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -77.29 -41.78 39.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -52.99 -47.99 67.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.252 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.12 -33.18 62.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 59' ' ' ASP . 21.6 t -75.16 -36.8 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.508 HD21 HG13 ' A' ' 11' ' ' VAL . 12.7 mt -70.89 -43.74 67.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.32 -33.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.405 ' N ' ' C ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -94.02 106.26 18.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.45 -0.08 18.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.413 ' O ' ' CD2' ' A' ' 69' ' ' HIS . 3.9 t70 -119.44 139.73 51.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.77 ' CD2' HD23 ' A' ' 78' ' ' LEU . 67.7 m-70 -150.95 134.82 16.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.603 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.6 124.26 44.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.709 ' CD2' HD12 ' A' ' 25' ' ' LEU . 15.0 tp -145.15 102.63 3.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.455 ' NE2' HD13 ' A' ' 24' ' ' LEU . 0.6 OUTLIER 58.69 65.89 1.16 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 109.579 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.623 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 41.95 86.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 168.42 139.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.41 ' C ' HD13 ' A' ' 76' ' ' LEU . 11.4 pt20 -93.77 110.13 21.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.71 HD22 ' O ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -90.25 131.76 35.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.488 ' CB ' ' HG2' ' A' ' 14' ' ' ARG . 0.9 OUTLIER -94.34 105.59 17.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.922 HD13 HG22 ' A' ' 13' ' ' VAL . 1.1 mm? -93.8 133.92 36.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.54 ' O ' HG13 ' A' ' 11' ' ' VAL . 29.6 mtt-85 -152.65 161.4 29.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 115.21 4.22 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.424 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -67.23 162.35 55.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.424 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.02 113.5 3.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -179.61 5.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.462 1.769 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.505 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 0.0 OUTLIER 53.33 101.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 84' ' ' ARG . . . 72.1 161.15 0.16 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.4 ' HD2' ' HB1' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -74.96 -38.05 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.466 1.771 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 49.62 88.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -130.31 152.06 50.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.6 tt -65.84 140.42 58.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.36 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.3 tp -120.23 140.41 51.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -50.29 110.95 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.76 99.39 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 175.01 123.19 0.73 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.96 151.47 63.84 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.49 0.759 . . . . 0.0 109.366 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 172.58 16.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.448 1.762 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.3 16.63 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.541 1.811 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -176.24 77.31 0.07 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 70.1 p -122.72 137.09 55.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 110.395 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.6 p -167.08 163.89 15.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 110.019 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 155.07 100.93 0.18 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.558 1.161 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 170.42 20.46 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.534 1.808 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.1 t -161.93 146.89 12.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.986 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.55 -58.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.985 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.541 1.151 . . . . 0.0 111.026 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 t -111.4 150.79 29.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 109.982 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.6 t 42.02 84.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.89 -64.02 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.454 ' CB ' ' NH1' ' A' ' 84' ' ' ARG . 66.4 m 61.35 172.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.783 . . . . 0.0 109.951 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.4 m 55.6 86.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.959 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.1 101.28 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.05 -136.68 13.71 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.566 HG21 ' CB ' ' A' ' 57' ' ' PRO . 2.0 t -140.14 142.27 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.754 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -136.73 140.21 42.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.6 t -128.32 118.19 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' ARG . 52.6 tt0 -73.64 108.92 6.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.948 HG22 HD13 ' A' ' 78' ' ' LEU . 97.7 t -91.47 139.44 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -136.55 145.14 44.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.09 66.52 2.01 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.673 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -135.06 126.34 17.59 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 109.265 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.673 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.98 146.82 33.18 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.537 1.809 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.98 -35.21 3.29 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.797 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.33 -45.0 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.5 t -72.39 127.27 90.38 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 168.91 23.79 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.475 1.776 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 26' ' ' THR . 9.7 p-10 -73.45 -22.92 60.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.454 ' HB2' HD23 ' A' ' 24' ' ' LEU . 1.2 mt-10 -55.36 -52.81 62.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.733 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -67.31 -48.74 66.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.832 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -40.62 -45.84 2.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 22' ' ' ASP . 73.8 p -78.06 -50.75 11.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.772 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -44.28 -31.84 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -79.47 -66.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.551 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 19.6 m-85 -52.58 -29.73 27.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -73.34 -45.51 54.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.12 137.72 57.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -85.68 -37.84 18.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.6 mtt85 -63.03 -46.15 88.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.266 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -58.63 -63.45 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.78 -73.14 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.7 65.75 0.16 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.93 -131.48 2.71 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.65 -156.04 6.67 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.17 31.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.447 1.761 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.0 t -98.81 129.54 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.358 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -55.41 8.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.41 179.35 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.959 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.524 ' CZ2' ' HA ' ' A' ' 45' ' ' ARG . 9.5 t-105 -148.44 132.55 17.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 108.022 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -121.31 97.26 5.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.524 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 11.7 ttp180 -74.26 130.03 38.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 45' ' ' ARG . 64.9 mt -131.21 98.69 4.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.22 -117.82 5.33 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 58.9 m -88.38 62.19 6.53 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 146.39 -140.21 8.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 140.36 161.57 8.76 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.0 t -92.72 130.81 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.873 HD22 ' CE1' ' A' ' 54' ' ' PHE . 5.2 tt -109.88 150.92 27.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 9' ' ' VAL . 13.8 m -115.59 120.89 40.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.873 ' CE1' HD22 ' A' ' 52' ' ' LEU . 23.1 m-85 -102.05 119.29 38.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.6 ttt85 -41.46 -56.14 2.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 1.0 OUTLIER -105.44 133.06 20.36 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.08 . . . . 0.0 110.284 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.566 ' CB ' HG21 ' A' ' 9' ' ' VAL . 18.1 Cg_endo -74.97 -34.94 3.47 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.504 1.792 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.85 -50.92 72.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.641 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.6 OUTLIER -64.69 -39.27 93.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.456 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -57.57 -40.69 79.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -59.34 -46.47 88.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -24.32 63.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.266 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 59' ' ' ASP . 39.3 t -83.66 -39.87 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' A' ' 66' ' ' GLN . 11.7 mt -67.59 -43.64 80.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -39.44 -30.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.437 ' N ' ' C ' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -89.51 112.23 23.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.36 2.08 19.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -123.16 141.09 52.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.69 ' CD2' HD23 ' A' ' 78' ' ' LEU . 68.7 m-70 -147.43 121.17 9.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.57 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.94 130.99 53.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.912 ' HB3' HD21 ' A' ' 76' ' ' LEU . 27.1 tp -151.48 95.51 2.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.434 ' NE2' HD13 ' A' ' 24' ' ' LEU . 0.8 OUTLIER 60.77 50.25 5.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.58 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.39 73.79 0.43 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.95 127.78 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.763 . . . . 0.0 109.305 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -88.65 93.48 9.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.912 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -76.61 135.03 39.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.8 m -95.4 100.52 12.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.948 HD13 HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -86.85 137.12 32.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 12' ' ' GLU . 78.1 mtt180 -152.59 157.29 33.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 122.73 7.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.1 158.49 81.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . 18.3 Cg_endo -74.99 135.78 19.55 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.493 1.786 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 82' ' ' PRO . 18.5 Cg_endo -74.93 157.49 43.02 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.477 1.777 . . . . 0.0 111.072 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.454 ' NH1' ' CB ' ' A' ' 5' ' ' SER . 11.0 ttt180 -82.54 95.03 7.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 65.12 153.4 0.12 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 125.1 9.1 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 40.53 89.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.2 ttt-85 -161.78 96.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.6 pp -111.79 119.69 39.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 tt -88.29 108.19 19.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.36 125.74 2.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -123.69 158.5 31.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.29 131.91 2.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -103.4 150.51 38.07 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 172.81 15.64 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.565 1.824 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 159.44 41.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.468 1.773 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -135.73 97.71 0.28 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.1 t -164.97 148.72 8.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 110.419 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 t -175.76 153.29 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 147.43 100.24 0.25 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 176.62 9.68 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.4 p -107.01 153.65 22.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.97 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.48 151.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.031 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -73.42 87.3 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 110.007 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.1 160.87 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.1 96.16 0.11 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.5 p 41.06 84.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 m 64.0 103.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.983 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.53 133.77 8.77 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 171.81 -110.55 0.36 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.624 HG21 ' CA ' ' A' ' 57' ' ' PRO . 29.0 t -124.46 124.31 68.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.489 0.758 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -128.48 151.97 48.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.559 HG13 HD21 ' A' ' 64' ' ' LEU . 86.9 t -135.72 118.99 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.33 110.79 9.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.865 HG22 ' CD1' ' A' ' 78' ' ' LEU . 75.5 t -89.5 136.22 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.473 ' HG3' ' N ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -131.21 142.05 50.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.473 ' N ' ' HG3' ' A' ' 14' ' ' ARG . . . 75.69 68.98 1.45 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.744 HD13 ' CD1' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -134.59 124.76 17.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 109.269 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.635 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.4 Cg_endo -75.02 150.12 37.61 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.538 1.809 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -40.58 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.432 1.753 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.34 -41.58 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.5 HG11 ' HG ' ' A' ' 71' ' ' LEU . 58.6 t -72.38 120.82 82.61 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.473 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.4 Cg_endo -74.99 149.24 36.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.547 1.814 . . . . 0.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -51.67 -38.3 54.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -41.57 -55.56 2.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.7 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -64.68 -51.67 61.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.966 HD12 ' CD2' ' A' ' 71' ' ' LEU . 2.8 tp -39.59 -44.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.0 p -79.5 -46.81 16.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.776 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.82 -38.07 33.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.484 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 28.6 t80 -71.57 -60.14 2.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.48 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 13.3 m-85 -55.79 -40.62 72.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -61.2 -48.54 81.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.442 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 2.7 t-20 -58.08 143.07 44.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -60.25 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -47.44 -53.76 13.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.484 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 86.0 mmt-85 -42.81 -60.69 1.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -125.3 -68.65 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 120.95 75.0 0.39 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.37 -102.1 0.78 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.35 -155.62 18.24 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 103.07 1.67 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.619 HG13 HD21 ' A' ' 52' ' ' LEU . 55.0 t -57.45 120.74 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.457 HD23 ' HG3' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -60.71 -56.81 16.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.59 179.6 8.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.746 ' CE3' HD12 ' A' ' 52' ' ' LEU . 9.0 t-105 -148.22 114.83 5.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 107.987 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -105.9 97.71 7.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.43 127.26 32.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.3 mt -119.39 73.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.43 -90.67 0.73 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.122 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.8 m -80.95 -77.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.595 ' HA2' HD23 ' A' ' 16' ' ' LEU . . . -89.02 -112.6 1.26 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.82 168.26 12.06 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.8 t -93.34 129.56 43.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.746 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.1 tt -109.6 153.42 24.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.6 m -119.6 135.83 54.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.605 ' CE2' HG21 ' A' ' 63' ' ' VAL . 17.4 m-85 -113.94 122.93 48.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.457 ' HG3' HD23 ' A' ' 41' ' ' LEU . 44.0 ttt180 -38.13 -59.63 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -98.1 154.13 37.84 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.624 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.5 Cg_endo -74.99 -52.04 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.461 1.769 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.69 75.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -65.52 -17.72 64.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.572 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -93.43 -40.95 10.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 62' ' ' ARG . 4.2 pt-20 -61.82 -40.59 95.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.342 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.411 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -57.63 -36.08 71.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.605 HG21 ' CE2' ' A' ' 54' ' ' PHE . 60.1 t -73.7 -39.99 53.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.559 HD21 HG13 ' A' ' 11' ' ' VAL . 13.6 mt -65.95 -44.43 85.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -38.8 -31.0 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 64' ' ' LEU . 1.1 tt0 -97.75 107.67 20.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.58 0.52 19.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -118.27 135.21 54.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.922 ' O ' HD22 ' A' ' 76' ' ' LEU . 85.1 m-70 -153.1 125.01 7.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.614 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.99 142.93 38.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.966 ' CD2' HD12 ' A' ' 25' ' ' LEU . 44.5 tp -154.24 95.77 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 54.41 66.91 1.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.589 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.621 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 49.89 82.18 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 168.49 126.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -87.95 112.01 22.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.922 HD22 ' O ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -90.2 121.43 32.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' ARG . 20.3 m -87.81 104.78 16.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.865 ' CD1' HG22 ' A' ' 13' ' ' VAL . 1.6 mm? -86.47 141.53 29.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -152.78 159.05 32.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 117.19 4.81 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.646 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -67.15 169.18 8.99 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.646 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.0 116.17 4.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 166.68 28.69 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.497 1.788 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.35 125.24 34.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -173.29 147.77 1.49 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 168.42 24.83 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.511 1.795 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -169.54 72.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -98.45 139.87 33.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.284 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.75 66.28 2.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.34 164.15 28.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -51.15 128.88 23.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -164.61 106.93 0.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 165.92 108.09 0.21 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 0.1 OUTLIER -107.76 145.89 32.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 109.251 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 94' ' ' LEU . 18.1 Cg_endo -75.02 171.48 18.23 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 177.48 8.52 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -100.76 -169.08 28.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.128 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.5 t -157.26 157.83 34.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.79 145.13 3.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.031 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.15 96.69 0.14 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.454 1.096 . . . . 0.0 111.004 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 176.64 9.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.6 t -118.04 147.4 43.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 27.6 t -53.15 159.18 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.995 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.571 1.17 . . . . 0.0 110.996 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.5 t -108.06 -58.36 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.2 p -66.47 152.27 45.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.033 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.33 168.84 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.44 -59.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 0.0 109.979 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -65.26 144.93 56.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.71 -150.53 22.23 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.43 179.74 48.02 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.603 HG21 ' CA ' ' A' ' 57' ' ' PRO . 16.5 t -125.03 122.31 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.455 0.738 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -130.32 143.88 51.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.444 HG13 ' O ' ' A' ' 79' ' ' ARG . 52.8 t -127.32 124.38 63.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.94 116.62 14.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.974 HG22 HD13 ' A' ' 78' ' ' LEU . 85.4 t -96.4 132.37 40.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 77' ' ' SER . 14.8 ttm180 -132.89 147.13 52.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.18 68.5 1.59 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.678 HD12 ' HD2' ' A' ' 17' ' ' PRO . 1.2 tp -134.52 124.58 17.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.678 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.4 Cg_endo -74.99 151.93 40.16 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.457 1.767 . . . . 0.0 111.051 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.422 ' C ' ' N ' ' A' ' 20' ' ' VAL . 18.2 Cg_endo -75.02 -43.11 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.444 1.76 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.87 -28.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.422 ' N ' ' C ' ' A' ' 18' ' ' PRO . 57.1 t -88.92 121.55 69.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.483 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.3 Cg_endo -74.99 -179.67 5.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' GLU . 6.0 p-10 -77.23 -46.24 23.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 22' ' ' ASP . 1.2 pm0 -35.08 -51.06 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.753 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -66.27 -52.77 44.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.794 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -39.16 -40.19 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.8 p -84.41 -50.87 7.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.767 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -42.8 -31.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.402 ' CB ' HD13 ' A' ' 71' ' ' LEU . 9.8 t80 -82.49 -63.0 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.683 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 15.5 m-85 -54.07 -44.91 71.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -61.56 -44.6 96.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -55.45 134.67 50.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 ptt-85 -86.92 -29.65 21.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -45.41 19.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -62.33 -51.72 66.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.356 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.61 -77.29 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.006 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.48 73.01 0.5 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.501 1.125 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.75 -81.04 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.95 -157.18 28.52 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.423 ' HG2' ' CD ' ' A' ' 55' ' ' ARG . 18.3 Cg_endo -74.97 155.01 43.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.4 t -104.53 122.43 57.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -63.02 -53.23 57.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.0 179.56 9.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.638 ' CE3' HD12 ' A' ' 52' ' ' LEU . 8.8 t-105 -147.36 125.39 12.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 107.992 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -115.97 99.08 7.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.684 ' O ' HD23 ' A' ' 46' ' ' LEU . 6.1 ttp180 -80.48 131.11 35.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.684 HD23 ' O ' ' A' ' 45' ' ' ARG . 57.6 mt -128.34 -134.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -68.71 100.74 0.71 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.2 m 69.47 -65.43 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . -90.13 -114.07 1.57 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 135.69 173.97 13.21 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' GLN . 2.6 t -96.81 127.64 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.638 HD12 ' CE3' ' A' ' 43' ' ' TRP . 2.3 tt -110.58 152.2 26.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.4 m -122.04 132.71 54.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.408 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.911 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 13.9 m-85 -106.94 137.21 45.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.45 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 28.3 ttt180 -45.13 -62.29 1.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -103.7 160.22 26.81 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.603 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.1 Cg_endo -75.02 -46.33 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.448 1.762 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 62' ' ' ARG . . . -61.76 -44.04 97.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.613 ' O ' HG23 ' A' ' 63' ' ' VAL . 53.1 m-20 -57.7 -42.65 84.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.911 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -67.4 -36.26 80.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -74.0 -34.52 64.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -62.52 -19.32 63.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 59' ' ' ASP . 44.1 t -92.94 -44.2 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.491 ' HA ' HD23 ' A' ' 64' ' ' LEU . 9.2 mt -57.63 -38.78 75.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.21 -31.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.451 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 5.4 tt0 -90.51 114.88 27.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.04 2.38 20.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -127.7 147.65 50.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.364 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.678 ' CD2' HD23 ' A' ' 78' ' ' LEU . 61.2 m-70 -150.5 135.96 18.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.592 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.07 124.91 45.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.794 ' CD2' HD12 ' A' ' 25' ' ' LEU . 21.3 tp -144.64 98.93 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.546 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER 57.29 58.58 3.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.596 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.533 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 52.34 84.18 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 173.88 133.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.272 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -89.48 96.04 10.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.671 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -77.23 126.34 30.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ARG . 6.4 m -92.97 99.69 12.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.974 HD13 HG22 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -88.07 143.69 26.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.444 ' O ' HG13 ' A' ' 11' ' ' VAL . 1.8 mtt85 -152.61 161.97 27.75 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.364 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 118.54 5.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.499 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -67.38 164.75 34.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.499 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.05 142.56 27.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 82' ' ' PRO . 18.2 Cg_endo -75.03 56.09 4.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.802 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.54 145.42 51.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -167.19 152.63 7.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.178 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 115.85 4.4 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.5 1.79 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -150.08 119.91 7.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -116.85 91.52 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.8 mt -148.58 107.43 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.246 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.79 90.74 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -49.48 124.74 9.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -63.0 94.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.325 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 162.98 176.77 35.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.546 1.153 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.608 HD23 ' HD2' ' A' ' 95' ' ' PRO . 0.1 OUTLIER -162.72 157.41 18.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.608 ' HD2' HD23 ' A' ' 94' ' ' LEU . 18.4 Cg_endo -74.96 170.35 20.61 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.447 1.762 . . . . 0.0 111.032 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 178.5 7.18 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -165.89 87.66 0.1 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.3 t -168.47 134.96 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.426 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.64 120.47 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.045 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -169.32 73.38 0.13 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -179.54 5.08 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.494 1.786 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 85.5 p -164.1 163.04 23.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 81.1 p -162.76 158.96 23.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.043 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 179.968 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.36 164.81 17.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.027 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 p 61.05 113.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.25 149.49 21.63 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.128 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 p -113.19 143.06 45.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 110.017 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -166.4 136.41 3.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.017 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.0 -164.06 11.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.135 . . . . 0.0 111.029 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -119.22 -80.59 0.68 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.637 HG11 ' HA ' ' A' ' 57' ' ' PRO . 3.1 t -120.82 130.36 74.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 109.368 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -135.53 143.67 45.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.624 ' CG1' HD21 ' A' ' 64' ' ' LEU . 57.8 t -127.33 119.13 51.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -76.66 115.99 16.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.283 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.959 HG22 HD13 ' A' ' 78' ' ' LEU . 84.3 t -97.08 139.51 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -134.28 147.07 50.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.504 ' O ' HD13 ' A' ' 76' ' ' LEU . . . 69.98 66.45 2.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.743 HD12 ' HD2' ' A' ' 17' ' ' PRO . 2.3 tp -128.27 124.74 23.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.743 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.2 Cg_endo -75.04 150.07 37.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.98 -36.92 2.28 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.459 1.768 . . . . 0.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.49 -34.21 2.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.425 HG11 ' HG ' ' A' ' 71' ' ' LEU . 18.9 t -86.57 120.47 71.99 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.3 Cg_endo -75.02 -179.94 5.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 23' ' ' GLU . 6.0 p-10 -76.72 -46.42 25.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 22' ' ' ASP . 0.9 OUTLIER -35.13 -49.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.756 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -69.5 -53.3 19.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.726 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -39.78 -39.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' GLU . 49.9 p -83.04 -46.47 12.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.366 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.757 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.82 -30.57 14.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -80.41 -49.87 10.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 22.6 m-85 -76.62 0.84 18.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' THR . 17.2 mt-10 -101.32 -39.5 7.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.274 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.459 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -74.63 127.37 32.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -66.31 -53.29 38.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -50.06 62.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.459 ' CG ' ' HB3' ' A' ' 31' ' ' ASN . 0.2 OUTLIER -52.84 -62.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -105.76 -73.74 0.67 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 109.967 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.41 ' N ' ' OG ' ' A' ' 35' ' ' SER . . . 121.53 49.75 0.26 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.31 -100.67 1.48 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.28 -155.02 11.88 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 141.01 25.95 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.548 1.814 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.5 t -95.76 122.12 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -55.42 30.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.25 179.29 9.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.75 ' CE3' HD12 ' A' ' 52' ' ' LEU . 11.1 t-105 -151.16 132.12 14.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 107.978 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -124.04 97.24 5.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.755 ' O ' HD23 ' A' ' 46' ' ' LEU . 31.5 ttp180 -69.5 136.71 51.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.343 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.755 HD23 ' O ' ' A' ' 45' ' ' ARG . 31.8 mt -143.34 128.81 19.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.371 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' LEU . . . 37.93 -116.06 0.43 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 23.6 p -101.29 51.76 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' LEU . . . 166.85 -128.48 1.75 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 136.16 160.93 8.97 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.7 t -91.39 128.47 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.75 HD12 ' CE3' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -109.75 156.64 20.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 9' ' ' VAL . 29.0 m -123.71 133.69 53.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.611 ' CE2' HG21 ' A' ' 63' ' ' VAL . 16.4 m-85 -112.61 121.12 43.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.1 ttt-85 -38.75 -57.55 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -99.32 151.23 37.34 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.083 . . . . 0.0 110.356 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.637 ' HA ' HG11 ' A' ' 9' ' ' VAL . 18.3 Cg_endo -74.94 -51.21 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.31 -44.02 88.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.651 ' O ' HG23 ' A' ' 63' ' ' VAL . 35.7 m-20 -56.44 -33.91 66.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.439 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -67.57 -59.04 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -50.76 -46.33 59.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -47.26 -35.95 8.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 59' ' ' ASP . 26.3 t -77.73 -36.73 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.624 HD21 ' CG1' ' A' ' 11' ' ' VAL . 26.8 mt -68.08 -37.92 81.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.06 -31.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.431 ' N ' ' C ' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -93.64 113.77 25.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.95 -0.56 21.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 69' ' ' HIS . 4.4 t70 -124.86 142.67 51.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.564 ' CD2' HD23 ' A' ' 78' ' ' LEU . 96.0 m-70 -156.1 119.05 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.604 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.6 134.1 53.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.726 ' CD2' HD12 ' A' ' 25' ' ' LEU . 4.9 tp -150.92 99.52 2.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.524 ' NE2' HD13 ' A' ' 24' ' ' LEU . 1.7 m-70 65.92 69.46 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.617 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.571 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 37.66 86.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 171.8 148.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.14 100.57 11.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.691 HD22 ' N ' ' A' ' 76' ' ' LEU . 0.5 OUTLIER -88.89 127.3 35.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.2 m -98.33 107.2 19.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.026 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.959 HD13 HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -91.12 137.21 32.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.568 ' O ' HG13 ' A' ' 11' ' ' VAL . 14.7 mtt-85 -152.69 160.09 31.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 120.96 6.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.36 157.99 83.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 113.39 3.78 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 152.23 40.4 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.509 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 0.1 OUTLIER -104.57 90.14 3.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 110.309 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 84' ' ' ARG . . . 72.26 118.55 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 118.03 5.12 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.494 1.786 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 48.01 72.4 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.168 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -87.45 145.37 26.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.293 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -171.06 93.8 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.32 133.34 16.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.41 118.38 4.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -157.41 125.74 5.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 110.72 74.89 0.78 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.69 154.51 73.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.2 20.94 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.788 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 177.61 8.37 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.466 1.772 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 144.34 99.52 0.29 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.153 . . . . 0.0 111.0 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.7 m -130.27 98.54 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 110.347 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.2 144.42 25.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.023 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -114.3 157.39 15.01 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 126.18 9.82 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.573 1.828 . . . . 0.0 111.032 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.9 t -159.28 127.94 5.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 33.9 t 64.3 153.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 m 52.8 85.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 0.787 . . . . 0.0 110.001 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -144.23 -58.93 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.45 179.28 8.14 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 50.15 91.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 0.803 . . . . 0.0 109.989 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.9 p -102.74 98.38 8.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.969 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.21 169.64 26.94 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.538 1.148 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.93 113.1 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.525 HG21 ' CA ' ' A' ' 57' ' ' PRO . 14.1 t -132.03 125.71 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -129.85 145.9 51.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.504 HG13 ' O ' ' A' ' 79' ' ' ARG . 42.5 t -129.21 117.55 43.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 79' ' ' ARG . 3.5 tm-20 -74.6 114.56 13.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.879 HG22 HD13 ' A' ' 78' ' ' LEU . 78.7 t -96.72 135.92 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.3 147.66 51.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.496 ' O ' HD13 ' A' ' 76' ' ' LEU . . . 73.1 68.12 1.66 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.687 HD13 ' CD1' ' A' ' 25' ' ' LEU . 1.9 tp -131.71 120.97 17.88 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.781 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.586 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.03 155.9 42.84 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.407 ' C ' ' N ' ' A' ' 20' ' ' VAL . 18.3 Cg_endo -74.93 -40.72 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.769 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.59 -32.23 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' A' ' 18' ' ' PRO . 4.7 t -85.75 123.49 72.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 170.92 19.35 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.79 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 23' ' ' GLU . 43.4 m-20 -70.5 -55.06 9.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.433 ' CG ' HD23 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -36.24 -44.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 110.272 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -65.4 -65.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.793 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.7 OUTLIER -35.67 -38.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' GLU . 2.1 p -79.88 -47.7 14.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.412 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.807 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -48.26 -40.34 24.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.539 ' HB2' HD13 ' A' ' 71' ' ' LEU . 55.7 t80 -68.88 -52.08 33.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.759 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 19.9 m-85 -68.39 -12.61 61.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' THR . 6.9 mt-10 -88.36 -44.78 10.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -67.07 122.1 17.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -71.5 -21.43 61.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -76.6 -45.14 31.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -62.18 -54.67 37.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.2 p -112.87 -75.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.035 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.59 58.08 0.07 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.12 -124.9 2.68 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.03 -152.71 6.54 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 96.31 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.6 t -44.05 120.88 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -58.85 -57.56 12.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 t -147.84 176.95 9.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.773 ' CE3' HD12 ' A' ' 52' ' ' LEU . 8.6 t-105 -151.16 122.25 7.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 108.065 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -118.07 97.36 5.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -73.75 135.4 43.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.1 mt -133.48 -156.82 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.252 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 48' ' ' CYS . . . -69.15 120.87 10.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 47' ' ' GLY . 27.8 p 39.58 57.21 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 139.8 -141.2 11.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.86 167.07 13.5 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.2 t -93.56 125.02 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.773 HD12 ' CE3' ' A' ' 43' ' ' TRP . 2.1 tt -110.4 153.74 24.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 9' ' ' VAL . 51.3 m -119.51 133.06 55.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.419 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.687 ' CE2' HG21 ' A' ' 63' ' ' VAL . 10.3 m-85 -109.05 122.8 48.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.484 ' HA ' HD12 ' A' ' 41' ' ' LEU . 49.2 ttt85 -41.26 -56.26 2.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -100.28 149.74 36.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.525 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.4 Cg_endo -75.0 -50.31 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.554 1.818 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.73 -45.18 86.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.625 ' O ' HG23 ' A' ' 63' ' ' VAL . 13.4 m-20 -55.33 -36.17 65.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 57' ' ' PRO . . . -64.85 -52.67 55.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 64' ' ' LEU . 33.5 mm-40 -53.89 -52.29 60.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.433 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 5.3 mtt85 -43.81 -42.36 5.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.687 HG21 ' CE2' ' A' ' 54' ' ' PHE . 47.3 t -68.97 -37.11 76.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 61' ' ' GLU . 64.7 mt -69.74 -32.56 71.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 62' ' ' ARG . . . -40.16 -30.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.438 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 2.9 tt0 -103.35 114.28 28.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.69 -0.31 23.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -121.88 139.13 54.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.702 ' CD2' HD23 ' A' ' 78' ' ' LEU . 89.7 m-70 -148.47 128.69 13.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.57 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.72 127.46 50.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.793 ' CD2' HD12 ' A' ' 25' ' ' LEU . 3.0 tp -145.0 98.28 3.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 66.79 68.59 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.593 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.603 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 39.93 88.17 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 169.54 147.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 0.803 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -101.65 105.87 16.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.712 HD22 ' N ' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -91.94 125.86 36.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 m -93.77 101.57 13.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.879 HD13 HG22 ' A' ' 13' ' ' VAL . 1.1 mm? -86.57 136.86 32.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.504 ' O ' HG13 ' A' ' 11' ' ' VAL . 49.6 mtt180 -152.51 158.58 33.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 122.45 7.24 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.447 1.762 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.02 154.78 91.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 157.52 42.68 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.538 1.809 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 147.97 34.46 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.792 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -131.45 168.75 17.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -118.31 157.46 49.11 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 132.15 15.11 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 111.041 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -171.75 90.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -125.63 116.95 22.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.4 tp -168.97 82.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.088 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.2 pp -114.01 126.92 55.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 mt -77.81 141.74 39.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -140.89 136.56 32.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -166.02 -169.02 29.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.769 HD22 ' O ' ' A' ' 95' ' ' PRO . 0.0 OUTLIER -169.82 157.91 6.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.769 ' O ' HD22 ' A' ' 94' ' ' LEU . 18.1 Cg_endo -74.99 165.43 31.33 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.798 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 174.33 12.95 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.479 1.778 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -139.6 130.23 4.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 22.1 m -143.73 126.02 15.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.389 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 78.9 p -122.05 171.34 9.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.978 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -169.86 102.63 0.18 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -177.33 3.38 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 111.069 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.2 m -134.58 171.7 13.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.36 171.94 13.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.14 . . . . 0.0 111.028 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.03 -58.77 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 110.011 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 p -40.63 144.95 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.12 -119.04 16.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -164.02 163.63 23.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.29 135.63 51.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.958 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.14 -94.22 2.24 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -138.01 156.87 24.06 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.66 HG21 ' CA ' ' A' ' 57' ' ' PRO . 24.2 t -122.89 125.37 72.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -129.93 148.79 51.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 79' ' ' ARG . 97.3 t -133.51 123.7 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.78 113.48 10.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.246 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.027 HG22 HD13 ' A' ' 78' ' ' LEU . 75.0 t -95.39 129.94 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 77' ' ' SER . 2.1 ttm180 -131.16 145.63 52.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.97 66.95 1.82 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.616 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.4 OUTLIER -134.99 125.58 17.25 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.563 0.802 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.616 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.98 147.83 34.54 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.534 1.807 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.99 -32.62 5.24 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.11 -41.68 17.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.488 HG11 ' HG ' ' A' ' 71' ' ' LEU . 20.3 t -76.65 124.67 87.8 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 165.7 30.76 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 3.4 p-10 -65.85 -40.19 91.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.485 ' HG2' HD23 ' A' ' 24' ' ' LEU . 8.6 tt0 -38.59 -55.28 1.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.818 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -65.03 -51.06 63.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.809 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -39.34 -43.86 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.462 ' H ' ' HG1' ' A' ' 26' ' ' THR . 48.8 p -81.08 -50.34 9.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.773 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -44.97 -34.14 2.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.52 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 46.5 t80 -75.27 -65.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.088 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.635 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 21.8 m-85 -53.58 -36.24 61.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -62.78 -48.8 77.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.405 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -69.17 142.81 54.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -78.48 -62.6 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -39.7 -47.49 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.52 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 6.1 mmt85 -51.89 -64.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 28' ' ' TYR . 2.4 p -119.75 -61.86 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.78 70.87 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.28 -151.07 5.37 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.9 -160.46 10.55 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 96.99 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.441 1.758 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.663 ' CG1' HD21 ' A' ' 52' ' ' LEU . 53.7 t -47.14 120.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -56.06 -59.45 4.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.31 179.43 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.024 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.749 ' CE2' HD22 ' A' ' 25' ' ' LEU . 7.8 t-105 -148.36 120.31 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -109.83 97.79 7.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 110.343 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.516 ' HG3' ' CZ2' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -72.11 133.06 44.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.7 mt -128.13 82.96 2.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.34 -85.51 0.1 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 0.0 111.064 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 60.5 m -92.74 -76.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.1 -118.14 0.51 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 134.15 161.52 9.63 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.0 t -88.33 125.67 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.76 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.663 HD21 ' CG1' ' A' ' 40' ' ' VAL . 1.8 tt -109.44 152.35 25.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.102 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 9' ' ' VAL . 62.2 m -121.86 133.35 54.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.453 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.781 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 18.2 m-85 -108.32 129.0 55.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.464 ' HA ' HD23 ' A' ' 41' ' ' LEU . 36.0 ttt85 -38.23 -61.99 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -105.27 161.26 23.3 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.66 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.08 -46.25 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.459 1.768 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.55 99.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.643 ' O ' HG23 ' A' ' 63' ' ' VAL . 79.1 m-20 -57.51 -36.81 72.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.781 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -74.23 -46.57 40.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.44 -48.65 80.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -21.67 1.86 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 59' ' ' ASP . 85.9 t -88.59 -51.96 11.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 64' ' ' LEU . 12.5 mt -54.38 -38.17 65.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.28 -36.23 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.458 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 10.8 tt0 -85.46 118.8 25.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.82 6.06 19.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.19 138.89 51.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.617 ' CD2' HD23 ' A' ' 78' ' ' LEU . 31.8 m-70 -146.51 131.53 18.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.601 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 71' ' ' LEU . 0.7 OUTLIER -120.75 135.67 55.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.809 ' CD2' HD12 ' A' ' 25' ' ' LEU . 26.2 tp -154.13 96.53 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 61.24 62.63 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 109.628 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 46.59 78.0 0.09 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -178.95 135.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -90.02 97.56 11.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.721 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -77.7 126.37 30.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 14' ' ' ARG . 14.3 m -93.53 97.63 10.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 1.027 HD13 HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -87.21 142.05 28.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.496 ' O ' HG13 ' A' ' 11' ' ' VAL . 18.2 mtt180 -152.59 160.63 30.92 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 119.92 5.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.777 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.44 157.84 84.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . 18.3 Cg_endo -74.98 146.92 33.32 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.495 1.787 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 82' ' ' PRO . 18.4 Cg_endo -74.96 162.66 36.83 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.3 ttt-85 -172.67 -61.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -172.26 151.01 2.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 176.92 9.27 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.523 1.802 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -145.86 125.89 13.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.79 -55.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.7 mt 60.63 87.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -147.51 -62.7 0.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.29 -62.92 0.68 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.3 -65.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.312 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.496 ' C ' HD22 ' A' ' 94' ' ' LEU . . . 122.48 75.23 0.33 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.469 1.105 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.496 HD22 ' C ' ' A' ' 93' ' ' GLY . 3.7 mm? -111.51 158.41 36.41 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.74 28.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 164.32 33.53 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.768 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.55 137.08 16.98 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.112 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.6 t -106.76 -26.94 11.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 110.401 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.31 94.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.975 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.6 76.51 0.23 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 179.12 6.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.799 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.41 137.06 33.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.037 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.3 p -162.76 146.66 11.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 0.0 110.941 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 p -140.57 134.28 30.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.763 . . . . 0.0 110.019 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 m -111.06 167.75 10.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.16 96.69 0.09 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.566 1.166 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.67 -57.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.976 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -149.58 123.18 9.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.983 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.58 -108.77 0.97 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.03 -84.69 0.58 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.691 HG21 ' CA ' ' A' ' 57' ' ' PRO . 58.7 t -125.57 121.73 60.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.767 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -130.36 139.91 50.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 79' ' ' ARG . 59.6 t -123.05 124.59 70.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.474 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 5.7 tm-20 -74.94 112.28 11.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.087 HG22 HD13 ' A' ' 78' ' ' LEU . 74.8 t -96.86 135.52 30.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.13 145.94 44.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.93 69.54 1.38 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.442 1.089 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.609 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.6 OUTLIER -136.4 124.63 15.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 0.76 . . . . 0.0 109.284 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.609 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.02 150.58 38.26 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.02 -36.84 2.3 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 110.948 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.07 -41.56 5.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.402 HG11 ' HG ' ' A' ' 71' ' ' LEU . 25.5 t -74.07 122.2 86.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 156.47 43.16 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -59.25 -36.01 74.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -43.12 -55.68 3.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.698 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -62.97 -51.44 66.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.784 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -40.1 -44.92 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.439 ' H ' ' HG1' ' A' ' 26' ' ' THR . 62.6 p -80.04 -51.38 9.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.778 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -43.16 -37.17 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -73.63 -67.22 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.56 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 20.1 m-85 -50.31 -36.74 33.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -66.32 -47.04 74.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.441 ' CB ' ' HG3' ' A' ' 34' ' ' ARG . 1.1 m-20 -60.59 140.15 57.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.5 ptt-85 -89.37 -34.43 16.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -37.57 72.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.441 ' HG3' ' CB ' ' A' ' 31' ' ' ASN . 8.4 mmt180 -64.17 -56.64 13.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.79 -59.86 1.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.69 74.5 0.94 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.56 1.163 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.455 ' HA3' ' CG2' ' A' ' 63' ' ' VAL . . . -139.86 -79.94 0.07 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.49 -158.49 30.27 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.429 ' HG2' ' CD ' ' A' ' 55' ' ' ARG . 18.2 Cg_endo -75.03 147.06 33.3 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 110.931 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 53' ' ' THR . 53.9 t -102.47 132.54 48.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -57.42 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.16 179.35 7.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.927 ' CE3' HD12 ' A' ' 52' ' ' LEU . 7.7 t-105 -148.04 118.53 7.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 107.995 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -109.77 97.34 6.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.52 133.8 40.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 29.3 mt -133.73 -161.17 1.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.3 110.83 3.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.4 t 47.78 68.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 129.0 -131.21 6.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 137.45 165.25 10.34 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.3 t -87.91 123.51 40.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.927 HD12 ' CE3' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -109.65 141.46 42.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.465 ' O ' HG13 ' A' ' 40' ' ' VAL . 30.5 m -111.19 128.21 55.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.418 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.883 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 11.2 m-85 -102.23 132.12 48.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.429 ' CD ' ' HG2' ' A' ' 39' ' ' PRO . 22.8 ttt180 -40.09 -61.8 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -105.39 161.61 22.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.691 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.5 Cg_endo -74.94 -47.06 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.507 1.793 . . . . 0.0 111.05 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.65 -44.49 96.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.636 ' O ' HG23 ' A' ' 63' ' ' VAL . 46.4 m-20 -55.46 -39.8 70.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.883 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -70.03 -43.44 71.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -61.53 -51.36 68.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.49 -24.06 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.637 HG21 ' CE2' ' A' ' 54' ' ' PHE . 57.0 t -86.45 -43.35 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.492 ' HA ' HD23 ' A' ' 64' ' ' LEU . 11.1 mt -60.33 -41.29 93.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.39 -32.43 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.255 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.434 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 0.4 OUTLIER -90.44 113.31 25.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.9 1.38 20.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -124.69 144.59 50.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.75 ' CD2' HD23 ' A' ' 78' ' ' LEU . 88.3 m-70 -149.89 111.47 4.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.553 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.92 130.17 42.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.957 ' HB3' HD21 ' A' ' 76' ' ' LEU . 22.3 tp -151.7 95.6 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.49 ' CD2' HD13 ' A' ' 24' ' ' LEU . 1.4 m-70 53.48 64.89 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.619 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.582 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 48.98 86.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 171.03 141.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -103.54 93.81 5.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.957 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -72.01 127.43 32.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.7 m -90.31 98.59 11.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 1.087 HD13 HG22 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -86.34 141.73 29.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.51 ' O ' HG13 ' A' ' 11' ' ' VAL . 20.2 mtm180 -152.86 158.77 32.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.88 3.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.474 ' HB2' ' N ' ' A' ' 12' ' ' GLU . . . -67.03 163.16 47.26 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.455 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.03 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.51 1.795 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 55.47 3.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.533 1.807 . . . . 0.0 111.041 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 169.45 -172.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -152.8 123.17 3.46 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.586 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 18.3 Cg_endo -74.98 119.0 5.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.53 1.805 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.586 ' HB2' ' O ' ' A' ' 86' ' ' PRO . . . 169.73 54.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -174.01 87.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.3 mm? 51.15 -179.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.2 tt -113.2 77.67 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.71 139.64 20.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -178.3 93.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.259 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -153.12 -135.55 2.19 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.43 158.68 35.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 169.54 22.39 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 164.16 33.81 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.762 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -103.54 -96.24 2.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 60.9 p -137.51 127.56 25.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 0.753 . . . . 0.0 110.408 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.7 t -157.46 162.17 38.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 154.15 84.93 0.05 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 176.52 9.81 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.3 t -141.86 142.92 33.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.963 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.4 t -142.31 150.81 41.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.147 . . . . 0.0 110.978 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.97 103.72 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.419 0.717 . . . . 0.0 110.033 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m 63.96 128.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.96 -166.94 31.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -73.58 127.6 33.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.792 . . . . 0.0 110.036 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -117.35 111.64 19.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.978 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.61 93.57 0.25 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 110.977 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.85 115.59 3.03 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.681 HG21 ' CA ' ' A' ' 57' ' ' PRO . 32.9 t -127.06 118.05 49.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.464 0.743 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -127.9 138.53 52.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 79' ' ' ARG . 95.2 t -121.9 121.01 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.512 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 9.4 tm-20 -74.08 114.24 12.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.01 HG22 HD13 ' A' ' 78' ' ' LEU . 82.9 t -93.78 134.76 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 77' ' ' SER . 1.0 OUTLIER -134.69 146.12 49.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.48 60.38 3.03 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.118 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.646 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -129.48 125.99 22.64 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.287 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.646 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.01 152.13 40.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -38.1 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.474 1.776 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.46 -38.74 6.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.9 t -77.74 121.03 83.63 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.435 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.4 Cg_endo -75.01 157.72 42.57 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.534 1.807 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.577 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -60.18 -35.73 76.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' HG2' HD23 ' A' ' 24' ' ' LEU . 10.3 tt0 -43.6 -55.14 4.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.723 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -63.07 -48.56 78.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.664 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -40.06 -47.02 2.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 22' ' ' ASP . 25.7 p -79.42 -53.55 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.784 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -39.82 -31.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.432 ' N ' ' C ' ' A' ' 26' ' ' THR . 27.2 t80 -81.55 -61.69 1.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.655 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 22.9 m-85 -55.59 -43.92 76.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -59.67 -44.1 93.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.72 135.09 54.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -75.18 -62.95 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -42.23 -51.06 4.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -50.08 -68.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.254 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 p -109.06 -68.99 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.31 79.24 0.81 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.46 ' HA3' ' CG2' ' A' ' 63' ' ' VAL . . . -143.05 -85.19 0.08 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 165.81 -157.28 29.68 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.446 ' HG2' ' CD ' ' A' ' 55' ' ' ARG . 18.2 Cg_endo -75.02 141.73 26.93 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 53' ' ' THR . 42.2 t -96.78 120.64 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -56.82 17.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.33 179.34 8.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.707 ' CE3' HD12 ' A' ' 52' ' ' LEU . 13.4 t-105 -149.77 141.95 24.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.024 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -134.96 97.28 3.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.515 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 28.1 ttp85 -74.57 122.8 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.9 mt -110.79 -171.57 1.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -37.74 -90.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 m -104.67 69.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 134.23 -122.98 3.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.567 1.167 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 140.25 162.91 9.3 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.6 t -92.33 127.29 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.707 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.7 tt -109.91 147.63 33.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.6 ' O ' HG13 ' A' ' 40' ' ' VAL . 60.7 m -115.65 133.07 56.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.379 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.803 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 16.1 m-85 -107.78 127.12 53.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.446 ' CD ' ' HG2' ' A' ' 39' ' ' PRO . 31.5 ttt-85 -38.2 -60.84 0.73 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.23 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -103.62 160.67 25.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.681 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.1 Cg_endo -75.05 -46.63 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.07 99.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.652 ' O ' HG23 ' A' ' 63' ' ' VAL . 81.8 m-20 -55.68 -40.46 72.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.803 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -68.73 -50.46 50.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -56.44 -48.13 77.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.288 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -48.18 -24.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 59' ' ' ASP . 21.5 t -90.04 -46.7 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.493 ' HA ' HD23 ' A' ' 64' ' ' LEU . 10.8 mt -56.6 -40.59 75.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.14 -30.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 64' ' ' LEU . 2.6 tt0 -89.35 114.37 25.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.88 2.46 20.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -126.92 147.69 50.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.661 ' CD2' HD23 ' A' ' 78' ' ' LEU . 65.3 m-70 -150.92 129.42 12.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.643 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -119.51 126.82 52.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.664 ' CD2' HD12 ' A' ' 25' ' ' LEU . 18.4 tp -147.44 95.62 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 60.9 63.26 1.31 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 109.621 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 46.92 82.52 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 175.83 131.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 109.264 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -88.85 97.86 11.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.631 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -79.31 127.49 32.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' ARG . 5.9 m -92.92 99.7 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 1.01 HD13 HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -86.41 140.44 30.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.505 ' O ' HG13 ' A' ' 11' ' ' VAL . 70.9 mtt180 -152.52 158.93 33.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 113.79 3.87 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.677 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -66.84 170.67 5.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.677 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.06 114.99 4.15 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.534 1.807 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.35 35.06 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.546 1.814 . . . . 0.0 110.977 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.6 120.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.279 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -171.64 151.6 2.93 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 179.77 5.77 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.82 -56.97 6.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.61 141.95 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -167.86 125.11 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -176.96 73.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -49.78 140.55 11.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -178.1 128.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 159.25 113.15 0.33 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.112 . . . . 0.0 111.006 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.513 ' HA ' HD12 ' A' ' 94' ' ' LEU . 4.3 tp -154.93 141.32 13.12 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.541 0.789 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 94' ' ' LEU . 18.2 Cg_endo -75.07 167.96 25.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.488 1.783 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.1 27.79 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.773 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -159.71 113.67 0.58 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.16 133.72 54.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 0.759 . . . . 0.0 110.382 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 72.5 p -155.68 142.25 18.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 159.13 108.66 0.25 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 160.28 40.38 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.0 p -167.98 176.05 6.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.6 t 61.27 143.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.984 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.99 156.59 33.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 110.026 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m 59.54 113.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.026 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.43 -103.28 0.24 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.1 p -75.74 161.1 29.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 110.023 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 m -142.36 -59.39 0.45 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.025 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.37 -150.1 49.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.74 176.6 32.38 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.617 HG11 ' HA ' ' A' ' 57' ' ' PRO . 3.4 t -120.31 128.57 75.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 0.779 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -136.74 142.53 43.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.7 t -126.8 121.21 57.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -73.86 109.86 7.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.955 HG22 HD13 ' A' ' 78' ' ' LEU . 74.3 t -90.64 130.39 39.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.0 146.12 52.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.76 65.0 2.22 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.605 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -133.62 124.62 18.04 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.467 0.745 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.605 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.2 Cg_endo -75.02 149.64 36.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.522 1.801 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.1 Cg_endo -75.02 -37.17 2.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.18 -30.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.8 t -87.61 122.41 70.5 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.462 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.2 Cg_endo -75.04 159.67 40.94 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.556 1.819 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.608 ' O ' HG23 ' A' ' 26' ' ' THR . 60.0 m-20 -62.11 -34.8 77.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.588 ' HG2' HD23 ' A' ' 24' ' ' LEU . 8.2 tt0 -44.57 -51.85 8.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.707 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -67.8 -48.19 66.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.758 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -39.45 -44.52 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 22' ' ' ASP . 20.3 p -80.85 -53.62 6.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.453 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.782 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -39.87 -31.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.428 ' N ' ' C ' ' A' ' 26' ' ' THR . 31.2 t80 -82.1 -60.24 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.562 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 19.5 m-85 -58.82 -52.68 64.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -45.89 -53.06 10.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -62.04 146.82 49.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -88.19 -49.33 7.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -50.26 59.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -54.7 -63.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.9 p -104.1 -70.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 117.61 84.01 0.98 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.43 ' HA3' ' CG2' ' A' ' 63' ' ' VAL . . . -161.45 -83.85 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.91 -156.92 26.64 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 160.42 40.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.792 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 53' ' ' THR . 44.3 t -109.45 127.54 66.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -67.44 -52.29 41.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.5 t -154.85 177.57 11.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.974 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.723 ' CE3' HD12 ' A' ' 52' ' ' LEU . 12.2 t-105 -150.99 136.17 17.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 107.975 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.467 ' HG2' HD21 ' A' ' 46' ' ' LEU . 6.2 tt0 -130.77 112.94 13.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.499 ' C ' HD22 ' A' ' 46' ' ' LEU . 4.5 ttp85 -89.71 113.42 24.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.499 HD22 ' C ' ' A' ' 45' ' ' ARG . 3.3 mm? -109.52 45.25 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.12 133.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.452 1.095 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.7 m 43.17 53.4 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 120.81 -147.64 17.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.149 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 145.01 175.87 18.53 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.5 t -96.27 125.35 49.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.532 0.784 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.723 HD12 ' CE3' ' A' ' 43' ' ' TRP . 2.1 tt -109.54 149.17 30.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 9' ' ' VAL . 7.3 m -119.07 125.6 49.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.856 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 19.0 m-85 -100.69 134.62 43.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.437 ' HA ' HD12 ' A' ' 41' ' ' LEU . 32.7 ttt180 -41.7 -63.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -104.5 161.16 23.67 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.617 ' HA ' HG11 ' A' ' 9' ' ' VAL . 18.4 Cg_endo -75.03 -46.84 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.63 -45.72 92.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.662 ' O ' HG23 ' A' ' 63' ' ' VAL . 61.6 m-20 -57.77 -33.93 69.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.856 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -76.66 -45.88 27.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -63.86 -37.55 87.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -19.11 41.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.3 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 59' ' ' ASP . 25.7 t -94.46 -43.62 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.491 ' HA ' HD23 ' A' ' 64' ' ' LEU . 8.8 mt -57.15 -41.09 78.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.99 -29.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.45 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 3.1 tt0 -90.28 113.84 25.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.29 1.99 19.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.586 ' O ' ' CD2' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -123.67 153.81 40.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.674 ' CD2' HD23 ' A' ' 78' ' ' LEU . 65.2 m-70 -157.96 127.47 5.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.607 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -115.76 123.92 49.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.758 ' CD2' HD12 ' A' ' 25' ' ' LEU . 20.0 tp -144.85 97.17 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.532 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER 61.61 54.39 3.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.649 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 54.19 74.91 0.26 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.108 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.82 132.02 0.43 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 0.75 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -89.84 95.57 10.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.707 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -77.02 136.08 38.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.1 m -98.34 96.58 8.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.955 HD13 HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -86.78 135.43 33.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -152.76 162.72 25.68 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.257 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.51 6.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.681 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -67.06 170.81 5.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.681 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.98 126.24 9.86 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.424 ' O ' ' CB ' ' A' ' 84' ' ' ARG . 18.0 Cg_endo -75.05 149.9 37.14 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.436 1.756 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.424 ' CB ' ' O ' ' A' ' 83' ' ' PRO . 4.3 mtp180 163.69 142.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.421 1.076 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -111.91 152.17 44.05 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.44 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 18.5 Cg_endo -74.96 -58.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.534 1.807 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 86' ' ' PRO . . . 178.21 162.81 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.9 86.14 7.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.0 93.72 9.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 27.0 tp -89.82 106.57 18.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.082 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -44.82 114.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -161.28 156.93 24.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.97 168.63 34.89 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.492 ' HA ' HD12 ' A' ' 94' ' ' LEU . 2.0 tp -137.37 142.71 38.5 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.735 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 94' ' ' LEU . 18.3 Cg_endo -74.96 167.04 27.93 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.787 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 115.14 4.2 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 0.0 111.003 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -130.1 72.28 0.48 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 m -128.06 126.29 40.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 0.0 110.383 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.18 134.05 21.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -177.45 90.22 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 173.48 14.42 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.27 163.39 39.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 27.5 p -139.22 168.24 20.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.003 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -152.6 112.89 4.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 0.731 . . . . 0.0 110.005 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 t -106.08 133.77 50.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.993 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.84 176.06 0.05 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.5 p -149.36 133.39 17.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 0.755 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 m -47.58 113.17 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.973 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.3 91.83 2.21 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.77 118.59 0.97 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.601 HG21 ' CA ' ' A' ' 57' ' ' PRO . 21.3 t -117.35 128.53 74.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.764 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -136.69 147.53 46.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.542 HG13 ' O ' ' A' ' 79' ' ' ARG . 98.8 t -130.5 120.27 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -73.93 116.88 15.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.949 HG22 HD13 ' A' ' 78' ' ' LEU . 78.3 t -97.95 137.74 24.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.59 145.29 51.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.38 67.66 1.85 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.59 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -132.04 123.53 18.99 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.59 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.97 144.3 30.2 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -75.05 -23.18 13.97 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.91 -20.38 8.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.1 t -98.98 124.21 46.34 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 178.36 7.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.523 1.801 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.479 ' O ' HG23 ' A' ' 26' ' ' THR . 0.3 OUTLIER -75.35 -43.14 52.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.484 ' HG2' HD23 ' A' ' 24' ' ' LEU . 7.6 tt0 -37.79 -54.11 1.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.795 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -67.33 -53.77 26.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.767 HD22 ' CE2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -38.79 -38.5 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 30' ' ' GLU . 68.3 p -86.11 -50.17 7.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.771 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -42.99 -29.46 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.437 ' CB ' HD13 ' A' ' 71' ' ' LEU . 5.8 t80 -82.9 -63.09 1.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 23.0 m-85 -59.42 -13.84 10.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 26' ' ' THR . 19.8 mt-10 -89.64 -43.03 11.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.78 135.15 57.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.7 ptt-85 -86.27 -26.6 24.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.355 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -78.2 -42.0 32.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.34 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -64.27 -49.92 69.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.3 p -113.48 -76.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.023 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.26 49.07 0.2 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.45 -109.45 2.11 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.96 -155.14 9.16 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 151.42 39.52 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 53' ' ' THR . 11.4 t -104.35 119.71 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -53.49 57.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 43' ' ' TRP . 7.7 t -155.41 178.58 10.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.946 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.767 ' CE2' HD22 ' A' ' 25' ' ' LEU . 9.3 t-105 -151.08 141.07 22.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.027 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -136.11 97.46 3.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.368 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.5 ' HB2' ' CZ2' ' A' ' 43' ' ' TRP . 17.4 ttm-85 -77.64 121.72 24.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 45' ' ' ARG . 20.8 mt -117.92 118.24 31.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.68 -88.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 46' ' ' LEU . 5.4 p -113.46 -49.63 2.89 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.54 -122.58 0.87 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.96 151.31 7.01 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -87.51 126.83 41.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.726 HD12 ' CE3' ' A' ' 43' ' ' TRP . 2.5 tt -109.46 149.0 30.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.42 ' O ' HG13 ' A' ' 40' ' ' VAL . 10.4 m -118.27 132.2 56.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.4 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.672 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 17.4 m-85 -108.4 131.13 55.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.0 ttt-85 -40.3 -62.3 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.262 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -104.55 162.01 21.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.601 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.1 Cg_endo -75.06 -47.25 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.65 -41.81 98.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.558 ' O ' HG23 ' A' ' 63' ' ' VAL . 50.0 m-20 -59.44 -24.95 63.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.672 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -83.91 -50.6 7.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -57.28 -35.38 69.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -20.05 63.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.302 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.626 HG21 ' CE2' ' A' ' 54' ' ' PHE . 19.9 t -94.0 -42.8 13.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 64' ' ' LEU . 9.7 mt -61.94 -40.07 94.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.53 -30.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' LEU . 10.6 tt0 -92.79 112.28 24.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.09 0.99 19.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.417 ' O ' ' CD2' ' A' ' 69' ' ' HIS . 10.5 t70 -118.83 145.19 45.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.739 ' CD2' HD23 ' A' ' 78' ' ' LEU . 92.1 m-70 -156.88 122.27 4.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.613 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -121.71 120.13 33.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.653 ' HB3' HD21 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -144.37 101.34 3.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.533 ' CD2' ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER 69.54 62.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.573 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.569 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 39.74 85.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 171.53 126.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.748 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -84.45 92.81 8.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.684 HD13 ' N ' ' A' ' 76' ' ' LEU . 0.1 OUTLIER -71.08 147.42 48.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 m -109.27 99.42 8.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.016 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.949 HD13 HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -86.66 138.6 31.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.542 ' O ' HG13 ' A' ' 11' ' ' VAL . 58.2 mtt-85 -152.49 158.15 33.44 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 119.5 5.66 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.496 1.787 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.625 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -67.25 168.63 10.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.625 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.97 149.42 36.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.504 1.792 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 82' ' ' PRO . 18.2 Cg_endo -75.02 55.56 4.0 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.468 1.773 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -155.72 116.69 3.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.44 159.69 15.94 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 158.2 42.11 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.493 1.786 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -140.86 135.35 31.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.69 144.82 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.32 82.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.66 104.99 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -48.1 115.67 1.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -75.55 149.04 38.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 139.2 102.05 0.53 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.658 HD23 ' HD2' ' A' ' 95' ' ' PRO . 0.0 OUTLIER -112.09 153.57 44.58 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.658 ' HD2' HD23 ' A' ' 94' ' ' LEU . 18.3 Cg_endo -75.04 166.36 29.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 149.31 36.29 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.536 1.809 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -115.34 138.64 14.86 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.0 t -169.09 131.47 1.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.759 . . . . 0.0 110.368 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.63 130.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.963 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -142.54 82.91 0.22 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 174.66 12.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.541 1.811 . . . . 0.0 111.063 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 63.9 m -153.68 146.78 24.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.0 t -158.76 171.58 19.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 110.012 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 m -108.87 -59.84 1.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -50.25 144.88 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.05 -70.68 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.13 175.16 9.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.04 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.6 t -88.75 -68.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.95 149.69 6.4 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 170.58 -95.43 0.11 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.591 HG21 ' CA ' ' A' ' 57' ' ' PRO . 9.4 t -121.07 127.67 75.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 0.784 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.47 144.4 44.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.244 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.549 HG13 HD21 ' A' ' 64' ' ' LEU . 85.2 t -130.41 128.97 64.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -86.51 107.52 18.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.012 HG22 HD13 ' A' ' 78' ' ' LEU . 65.5 t -88.51 149.53 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.411 ' HB2' ' CB ' ' A' ' 77' ' ' SER . 13.7 mmt180 -132.45 169.94 15.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 49.97 69.63 1.01 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.77 HD13 HD13 ' A' ' 25' ' ' LEU . 12.6 tp -124.73 114.37 26.88 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.604 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.99 154.67 42.72 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -37.33 2.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.78 -44.59 19.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.6 t -78.07 120.8 82.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.092 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.456 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.3 Cg_endo -75.0 156.11 42.96 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.502 1.79 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.573 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 0.1 OUTLIER -59.42 -33.41 71.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -45.73 -54.39 7.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.713 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -64.21 -52.08 60.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.849 HD12 HD22 ' A' ' 71' ' ' LEU . 3.0 tp -39.85 -44.2 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 30' ' ' GLU . 16.4 p -80.18 -43.76 20.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.765 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -52.46 -36.64 55.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.561 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 32.4 t80 -73.61 -53.62 10.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.664 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 13.4 m-85 -62.93 -26.29 68.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 26' ' ' THR . 12.8 mt-10 -77.59 -44.73 27.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.425 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -65.39 146.24 55.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -80.51 -62.2 1.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.348 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.54 -50.33 7.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.561 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 9.4 mmm180 -48.32 -67.36 0.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 110.276 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.85 -73.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.993 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 119.24 75.53 0.47 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.54 -83.35 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 172.03 -160.08 31.54 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.415 ' HG2' ' CD ' ' A' ' 55' ' ' ARG . 18.4 Cg_endo -74.97 158.4 42.34 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.712 ' CG2' HD21 ' A' ' 52' ' ' LEU . 24.7 t -106.74 125.9 62.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -70.49 -50.74 34.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.9 t -148.61 177.89 9.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.688 ' CE3' HD12 ' A' ' 52' ' ' LEU . 16.4 t-105 -151.04 137.94 19.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 107.984 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -134.53 102.07 5.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.5 ' HD2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -75.21 117.53 17.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 45' ' ' ARG . 25.7 mt -115.31 -170.41 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.78 109.56 2.61 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.5 t 49.76 71.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 136.97 -127.85 4.19 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.35 149.32 6.08 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.4 t -86.52 124.47 40.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 0.774 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.712 HD21 ' CG2' ' A' ' 40' ' ' VAL . 1.5 tt -109.78 142.98 40.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 9' ' ' VAL . 86.5 m -108.14 120.36 42.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.995 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 13.9 m-85 -93.8 128.12 39.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.439 ' HA ' HD12 ' A' ' 41' ' ' LEU . 31.3 ttt180 -38.38 -60.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -106.77 161.91 21.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.591 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.3 Cg_endo -75.01 -47.29 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.53 96.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.461 ' O ' HG23 ' A' ' 63' ' ' VAL . 40.0 m-20 -56.67 -36.49 69.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.995 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -77.31 -49.2 15.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -48.97 -51.03 32.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.7 ttt85 -46.15 -48.26 17.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.811 HG21 ' CE2' ' A' ' 54' ' ' PHE . 23.5 t -60.17 -39.3 80.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.549 HD21 HG13 ' A' ' 11' ' ' VAL . 16.0 mt -65.87 -46.01 79.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.84 -30.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.441 ' N ' ' C ' ' A' ' 64' ' ' LEU . 1.9 tt0 -99.56 110.29 22.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.37 1.88 20.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.588 ' O ' ' CD2' ' A' ' 69' ' ' HIS . 11.2 t70 -118.77 140.85 49.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.725 ' CD2' HD23 ' A' ' 78' ' ' LEU . 92.1 m-70 -161.77 135.17 6.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 109.596 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 71' ' ' LEU . 1.8 tt0 -129.57 139.34 51.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.849 HD22 HD12 ' A' ' 25' ' ' LEU . 3.8 tp -147.74 104.76 3.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 51.43 70.81 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.602 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.582 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 46.09 88.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 171.2 143.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -102.73 96.52 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.712 ' H ' HD22 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -78.27 137.55 38.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.411 ' CB ' ' HB2' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -108.76 107.17 17.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.001 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 1.012 HD13 HG22 ' A' ' 13' ' ' VAL . 1.5 mm? -88.19 134.11 33.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -152.64 162.98 24.98 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 118.02 5.11 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.531 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -66.99 165.43 26.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.531 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.99 155.02 42.94 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.556 1.819 . . . . 0.0 111.041 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 149.32 36.46 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.47 -59.94 2.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.483 ' HB1' ' HD2' ' A' ' 86' ' ' PRO . . . -125.46 164.17 34.04 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.483 ' HD2' ' HB1' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.04 -44.62 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.538 1.809 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.54 108.28 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -116.37 98.07 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.71 90.24 3.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.16 77.38 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -48.9 137.11 13.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -170.09 160.85 8.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 136.32 -176.82 20.06 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.459 1.1 . . . . 0.0 111.05 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.737 HD23 ' HD2' ' A' ' 95' ' ' PRO . 0.1 OUTLIER -169.11 144.24 2.6 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.446 0.733 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.737 ' HD2' HD23 ' A' ' 94' ' ' LEU . 18.2 Cg_endo -74.99 168.87 23.88 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.499 1.789 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.99 31.03 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.523 1.802 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -142.76 96.03 0.19 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.9 t -159.5 119.84 3.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 110.344 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.45 147.03 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.038 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 168.33 78.96 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.56 22.36 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.515 1.797 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.56 110.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.5 t -173.47 136.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -153.05 105.7 2.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 0.752 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.82 151.22 21.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.01 119.54 1.78 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.4 t 45.64 87.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.757 . . . . 0.0 110.021 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.73 108.19 20.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.32 117.51 0.88 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -125.8 -131.01 3.52 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.523 HG21 ' CA ' ' A' ' 57' ' ' PRO . 4.2 t -128.55 130.62 69.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -136.67 145.29 44.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 84.8 t -128.91 120.11 51.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.476 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 67.0 tt0 -74.43 108.77 7.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.951 HG22 HD13 ' A' ' 78' ' ' LEU . 98.6 t -89.73 132.5 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 77' ' ' SER . 1.0 OUTLIER -131.9 146.99 52.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.414 ' N ' ' HG3' ' A' ' 14' ' ' ARG . . . 73.95 69.99 1.31 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.678 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.6 OUTLIER -134.59 126.1 17.93 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.678 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.5 Cg_endo -74.96 151.59 39.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.565 1.824 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -75.03 -43.53 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.461 1.769 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.26 -30.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.404 HG11 ' HG ' ' A' ' 71' ' ' LEU . 31.4 t -88.16 122.19 70.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.477 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.2 Cg_endo -75.01 -178.3 4.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' GLU . 28.7 m-20 -78.53 -46.32 19.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 22' ' ' ASP . 1.0 OUTLIER -35.16 -49.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.765 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -68.32 -52.8 29.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.726 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -39.87 -39.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.5 p -84.45 -50.8 7.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.379 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.781 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -41.85 -39.32 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.492 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -72.17 -69.66 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.594 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 17.9 m-85 -47.28 -42.13 20.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -67.65 -44.29 78.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -59.68 134.47 57.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.6 1.188 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -80.23 -48.36 13.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -35.45 15.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -96.2 -30.35 13.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -151.61 86.87 1.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.77 64.89 0.31 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -117.08 -66.83 0.37 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.81 -164.46 34.18 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 178.03 7.81 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.6 t -122.02 120.9 62.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.438 ' CD1' ' HA ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -64.69 -48.16 75.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.6 t -158.55 174.85 14.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.981 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.675 ' CE3' HD12 ' A' ' 52' ' ' LEU . 10.8 t-105 -147.41 135.23 21.16 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -128.51 111.74 13.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.53 ' C ' HD22 ' A' ' 46' ' ' LEU . 1.1 ttp85 -91.18 113.39 25.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.53 HD22 ' C ' ' A' ' 45' ' ' ARG . 2.9 mm? -109.78 42.56 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.82 132.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.5 m 43.22 55.25 4.73 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.65 -142.81 14.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 137.63 177.56 15.25 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.2 t -100.83 128.28 53.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.792 . . . . 0.0 109.252 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.675 HD12 ' CE3' ' A' ' 43' ' ' TRP . 2.0 tt -110.92 150.53 29.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.5 m -118.68 126.45 51.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.417 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.736 ' CE2' HG21 ' A' ' 63' ' ' VAL . 16.7 m-85 -100.53 136.51 40.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.438 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 32.7 ttt180 -45.34 -60.11 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -107.9 161.17 24.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.523 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.4 Cg_endo -74.98 -46.71 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.556 1.819 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.84 97.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.469 ' O ' HG23 ' A' ' 63' ' ' VAL . 92.2 m-20 -60.65 -23.55 64.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.684 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -85.89 -37.65 18.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.22 -38.48 88.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.401 ' NE ' ' HA ' ' A' ' 62' ' ' ARG . 0.6 OUTLIER -59.32 -18.0 34.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 110.331 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.736 HG21 ' CE2' ' A' ' 54' ' ' PHE . 16.4 t -93.0 -49.3 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.44 ' C ' ' N ' ' A' ' 66' ' ' GLN . 10.5 mt -57.53 -39.63 77.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.56 -30.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.459 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 5.0 tt0 -91.56 115.85 28.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.6 3.46 21.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -129.92 150.16 51.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.242 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.734 ' CD2' HD23 ' A' ' 78' ' ' LEU . 53.0 m-70 -153.06 140.21 19.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.568 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -128.08 123.52 34.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.726 ' CD2' HD12 ' A' ' 25' ' ' LEU . 18.7 tp -144.05 106.33 4.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.236 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.545 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER 54.71 60.53 3.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.614 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.636 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 47.69 90.54 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 167.02 143.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.408 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 1.8 pt20 -95.09 107.67 19.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.725 ' H ' HD22 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -90.36 122.07 32.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 14' ' ' ARG . 7.3 m -90.1 101.93 14.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.951 HD13 HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -86.69 137.26 32.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 12' ' ' GLU . 16.2 mmt85 -148.24 158.83 40.77 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 112.82 3.65 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.675 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -66.58 170.57 5.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.675 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.08 115.93 4.42 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 154.59 42.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.3 128.28 23.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -139.97 144.82 39.79 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 161.18 39.13 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.521 1.801 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -101.53 -62.22 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 52.91 102.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.714 HD22 ' N ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -172.66 -177.51 1.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.714 ' N ' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -174.72 139.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' A' ' 91' ' ' LEU . 0.4 OUTLIER -60.37 112.48 1.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 64.47 144.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -104.12 82.68 0.38 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.583 HD23 ' HD2' ' A' ' 95' ' ' PRO . 0.0 OUTLIER -162.23 150.86 12.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.583 ' HD2' HD23 ' A' ' 94' ' ' LEU . 18.2 Cg_endo -74.97 169.33 22.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.445 1.761 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 171.91 17.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.435 1.755 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 173.11 105.62 0.19 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.7 p -127.71 176.15 7.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 110.4 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 82.5 p -165.36 119.6 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -161.12 130.92 2.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.135 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 178.66 6.96 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 59.8 p -126.5 164.06 22.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.976 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.29 169.82 16.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.14 -59.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.977 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.19 -57.27 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.11 164.88 0.8 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.448 1.092 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m -150.82 -55.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.19 146.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 110.011 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.6 99.38 0.46 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.48 -166.08 1.8 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.576 HG11 ' HA ' ' A' ' 57' ' ' PRO . 2.2 t -139.27 136.68 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -135.46 145.58 47.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.0 t -131.07 129.94 63.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 40.9 tt0 -87.74 106.4 18.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.992 HG22 HD13 ' A' ' 78' ' ' LEU . 78.8 t -91.56 145.83 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.552 ' HG2' ' CB ' ' A' ' 77' ' ' SER . 1.4 ptm180 -134.82 154.6 51.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.352 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.52 ' O ' HD13 ' A' ' 76' ' ' LEU . . . 59.13 72.31 0.63 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.612 HD22 HD11 ' A' ' 25' ' ' LEU . 3.6 tp -129.39 116.6 18.61 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.529 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.4 Cg_endo -75.03 151.2 39.09 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -75.06 -37.65 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.797 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.32 -34.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.2 t -84.3 120.76 74.9 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.408 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.4 Cg_endo -74.99 149.24 36.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.472 1.775 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -53.01 -34.37 56.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -45.01 -54.83 6.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.665 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -65.21 -51.36 61.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.612 HD11 HD22 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -40.07 -41.03 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.9 p -84.08 -47.32 11.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.365 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.773 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.41 -36.17 21.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.461 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 28.5 t80 -75.08 -58.38 3.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.643 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 10.2 m-85 -57.49 -29.94 64.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -75.58 -38.04 59.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.436 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -65.28 146.26 55.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.46 -53.52 5.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 33' ' ' ARG . 12.3 mtp-105 -56.44 -45.72 80.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.249 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 2.5 mmp_? -51.19 -63.37 1.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 p -118.02 -64.87 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.21 54.01 0.14 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.3 -149.46 7.97 Favored Glycine 0 CA--C 1.529 0.933 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.66 -147.75 4.92 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.96 6.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 53' ' ' THR . 58.5 t -81.71 139.42 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.477 HD23 ' HG3' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -79.33 -56.6 4.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.69 179.22 8.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.758 ' CE3' HD12 ' A' ' 52' ' ' LEU . 10.3 t-105 -149.5 133.82 17.4 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.22 97.43 5.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.538 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 5.1 ttp85 -76.31 124.75 28.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.2 mt -121.73 -168.94 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.246 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.97 111.63 4.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.437 1.086 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t 47.79 60.79 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 147.01 -136.73 6.28 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 132.87 153.04 7.11 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 20.6 t -90.37 130.53 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.758 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.5 tt -110.88 154.27 24.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.563 ' O ' HG13 ' A' ' 40' ' ' VAL . 26.9 m -117.35 123.14 45.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.401 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.562 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 13.1 m-85 -102.95 108.8 20.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.477 ' HG3' HD23 ' A' ' 41' ' ' LEU . 61.4 ttt180 -38.51 -42.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 0.8 OUTLIER -115.24 130.58 24.14 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.576 ' HA ' HG11 ' A' ' 9' ' ' VAL . 18.5 Cg_endo -74.94 -34.5 3.85 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.23 98.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.757 ' O ' HG23 ' A' ' 63' ' ' VAL . 11.2 m-20 -72.3 -34.48 68.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.562 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -64.34 -43.39 94.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -52.5 -52.72 53.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.73 -25.66 19.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 59' ' ' ASP . 17.4 t -82.74 -39.9 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 64' ' ' LEU . 12.1 mt -70.84 -40.86 72.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -38.7 -33.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.423 ' N ' ' C ' ' A' ' 64' ' ' LEU . 4.4 tt0 -98.12 111.89 24.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.81 0.31 21.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.588 ' O ' ' CD2' ' A' ' 69' ' ' HIS . 2.8 t70 -121.34 141.89 50.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.702 ' CD2' HD23 ' A' ' 78' ' ' LEU . 79.5 m-70 -157.86 129.68 6.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.623 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.94 132.34 56.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.576 ' CD2' HD12 ' A' ' 25' ' ' LEU . 4.6 tp -148.49 103.76 3.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.468 ' NE2' HD13 ' A' ' 24' ' ' LEU . 0.8 OUTLIER 60.76 71.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.6 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 38.65 85.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 174.23 146.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -100.47 97.95 8.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.705 HD22 ' N ' ' A' ' 76' ' ' LEU . 0.4 OUTLIER -88.92 124.73 34.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.552 ' CB ' ' HG2' ' A' ' 14' ' ' ARG . 0.5 OUTLIER -99.79 107.08 19.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.992 HD13 HG22 ' A' ' 13' ' ' VAL . 1.9 mm? -86.57 132.43 33.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 12' ' ' GLU . 4.0 mmp_? -147.75 159.49 40.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 114.9 4.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.627 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -67.08 168.91 9.54 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.627 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.05 150.45 37.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.532 1.806 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 82' ' ' PRO . 18.2 Cg_endo -74.96 167.11 27.79 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.47 1.773 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.17 95.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -44.21 150.98 0.58 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 154.21 42.21 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.536 1.809 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -140.91 60.06 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.8 ttt-85 -79.6 109.87 14.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -163.73 71.42 0.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -171.84 113.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -52.86 162.52 0.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.94 164.67 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 158.81 110.52 0.28 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.18 151.95 54.91 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 0.781 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 172.05 17.12 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.468 1.772 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.1 6.41 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.521 1.8 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -162.83 157.86 29.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.4 t -165.8 153.39 10.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 110.381 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.9 p -176.53 168.01 2.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.123 . . . . 0.0 110.039 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -170.57 77.58 0.1 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.151 . . . . 0.0 110.959 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -179.94 5.5 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.47 1.774 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.7 t -125.81 151.36 46.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.95 152.03 48.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.057 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.536 1.148 . . . . 0.0 111.011 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.666 HG21 ' HA ' ' A' ' 57' ' ' PRO . 28.6 t . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.56 144.2 51.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 79' ' ' ARG . 60.6 t -127.67 125.67 65.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.457 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 6.3 tm-20 -74.31 121.26 21.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.976 HG22 HD13 ' A' ' 78' ' ' LEU . 81.9 t -101.95 133.54 45.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.21 146.91 51.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.48 ' O ' HD13 ' A' ' 76' ' ' LEU . . . 70.78 69.42 1.39 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.695 HD13 ' CD1' ' A' ' 25' ' ' LEU . 1.2 tp -133.36 121.74 16.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.553 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.2 Cg_endo -74.95 147.69 34.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.99 -26.74 10.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.777 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.38 -20.12 11.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.242 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.403 HG22 ' HB3' ' A' ' 72' ' ' HIS . 20.8 t -100.4 123.14 47.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 155.35 42.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.502 1.79 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.584 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -58.36 -36.3 73.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.514 ' HG2' HD23 ' A' ' 24' ' ' LEU . 12.9 tt0 -42.97 -54.13 4.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.733 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -65.69 -47.49 75.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.751 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -42.12 -46.65 4.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.7 p -77.09 -49.47 15.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.389 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.789 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -45.25 -45.2 11.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.511 ' CB ' HD13 ' A' ' 71' ' ' LEU . 6.0 t80 -62.4 -62.61 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.589 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 23.3 m-85 -54.32 -40.81 68.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.422 ' OE2' ' HA ' ' A' ' 39' ' ' PRO . 6.5 mt-10 -65.22 -29.31 70.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.68 120.53 16.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.12 -14.86 58.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -82.97 -42.53 17.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.47 -40.63 57.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.03 -74.86 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.042 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.09 39.54 0.48 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.44 ' CA ' ' OD1' ' A' ' 59' ' ' ASP . . . -106.77 -120.71 4.65 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.28 -145.24 4.48 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.422 ' HA ' ' OE2' ' A' ' 30' ' ' GLU . 18.3 Cg_endo -74.97 143.13 28.79 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.784 HG13 ' O ' ' A' ' 53' ' ' THR . 75.8 t -102.51 130.65 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -64.45 -58.51 6.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.253 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.4 t -153.67 178.6 9.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.83 ' CE3' HD12 ' A' ' 52' ' ' LEU . 7.7 t-105 -150.55 136.6 18.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 107.987 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -125.49 97.69 5.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.561 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 38.9 ttp85 -75.71 128.22 34.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.9 mt -116.66 -169.28 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.59 -92.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.5 m -101.66 62.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 142.27 -129.94 4.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.57 157.86 7.31 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 20.2 t -86.97 127.62 40.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.83 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.6 tt -109.91 150.58 28.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.784 ' O ' HG13 ' A' ' 40' ' ' VAL . 84.9 m -119.75 130.13 54.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.381 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.772 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 10.7 m-85 -103.91 121.29 42.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.478 ' HA ' HD12 ' A' ' 41' ' ' LEU . 5.6 ttt85 -38.6 -56.85 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -98.22 150.68 36.98 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.078 . . . . 0.0 110.283 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.666 ' HA ' HG21 ' A' ' 9' ' ' VAL . 18.4 Cg_endo -75.05 -51.0 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.786 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.19 81.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.485 ' O ' HG23 ' A' ' 63' ' ' VAL . 1.0 OUTLIER -53.79 -44.82 70.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.772 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -57.14 -37.87 72.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -75.65 -35.56 60.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -25.4 36.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.67 HG21 ' CE2' ' A' ' 54' ' ' PHE . 18.2 t -87.76 -51.05 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 64' ' ' LEU . 11.3 mt -52.44 -37.78 57.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.32 -40.15 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.596 ' O ' ' CE1' ' A' ' 69' ' ' HIS . 2.3 tt0 -83.64 120.33 25.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.18 4.15 21.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -124.7 139.13 54.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.602 ' CD2' HD23 ' A' ' 78' ' ' LEU . 20.5 m-70 -148.26 124.78 11.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.62 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.55 134.61 52.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.751 ' CD2' HD12 ' A' ' 25' ' ' LEU . 1.7 tp -152.94 109.21 3.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.501 ' NE2' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER 57.06 68.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.592 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.551 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 37.85 87.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 172.55 149.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 0.793 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -101.15 106.46 17.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.745 ' N ' HD22 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -93.58 125.78 38.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.3 m -97.61 100.16 11.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.976 HD13 HG22 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -86.64 145.3 26.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.526 ' O ' HG13 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -152.86 163.23 24.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 115.17 4.21 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.457 ' HB2' ' N ' ' A' ' 12' ' ' GLU . . . -67.42 153.84 94.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 111.036 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.706 HG11 ' HA ' ' A' ' 57' ' ' PRO . 2.3 t . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.22 150.63 49.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.423 HG13 HD21 ' A' ' 64' ' ' LEU . 94.5 t -141.31 118.24 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -73.6 113.37 10.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.993 HG22 HD13 ' A' ' 78' ' ' LEU . 81.8 t -95.47 133.5 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.3 OUTLIER -133.78 147.02 51.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.95 67.4 1.74 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.765 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.8 OUTLIER -134.1 127.64 19.18 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.765 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.03 150.3 37.82 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.439 1.757 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -43.31 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.53 -39.13 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.472 HG13 HD12 ' A' ' 24' ' ' LEU . 61.8 t -77.21 124.41 87.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.499 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.1 Cg_endo -75.03 -177.99 3.86 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 23' ' ' GLU . 4.2 p-10 -80.48 -42.93 21.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 22' ' ' ASP . 1.3 pm0 -37.46 -50.06 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.689 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -67.09 -52.77 37.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.799 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -39.68 -37.68 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.0 p -87.06 -49.12 7.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.363 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.772 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -45.93 -30.41 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.411 ' CB ' HD13 ' A' ' 71' ' ' LEU . 43.2 t80 -83.08 -64.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.655 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 12.2 m-85 -51.81 -38.03 54.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -66.62 -46.32 76.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.34 138.09 56.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -88.02 -35.4 17.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.26 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.3 mtm-85 -70.61 -42.9 70.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -63.5 -43.41 97.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.478 ' OG ' HG13 ' A' ' 63' ' ' VAL . 1.2 t -124.44 -78.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.77 50.91 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.34 -149.17 7.11 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.24 -154.05 7.54 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 131.82 14.72 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.427 ' CG1' HD21 ' A' ' 52' ' ' LEU . 37.8 t -83.57 126.74 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.405 HD23 ' HG3' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -64.46 -56.0 17.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.85 179.61 8.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.976 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.65 ' CE3' HD12 ' A' ' 52' ' ' LEU . 10.1 t-105 -147.19 128.89 15.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 108.044 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -120.46 100.59 7.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ttp85 -83.69 113.47 20.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 30.2 mt -88.02 -97.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.36 -90.77 1.61 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 63.0 m -91.08 44.59 1.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 151.71 -111.87 0.51 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.55 170.88 12.79 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.5 t -97.22 129.58 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.65 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.8 tt -109.68 153.37 24.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 9' ' ' VAL . 55.9 m -117.42 123.18 45.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.631 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 16.3 m-85 -101.84 113.15 26.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.405 ' HG3' HD23 ' A' ' 41' ' ' LEU . 54.2 ttt-85 -38.82 -49.98 1.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 0.9 OUTLIER -108.07 132.01 21.35 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.706 ' HA ' HG11 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.08 -34.57 3.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.565 1.824 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.58 -44.75 96.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.898 ' O ' HG23 ' A' ' 63' ' ' VAL . 1.4 m-20 -70.66 -34.98 72.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.631 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -63.81 -36.29 83.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -65.88 -51.77 55.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -22.98 5.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.252 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 59' ' ' ASP . 19.5 t -85.74 -44.63 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' A' ' 64' ' ' LEU . 11.6 mt -62.51 -42.18 99.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -38.99 -30.88 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.449 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 1.3 tt0 -93.02 114.53 27.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.86 2.2 20.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -121.5 142.49 50.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.747 ' CD2' HD23 ' A' ' 78' ' ' LEU . 64.5 m-70 -148.11 127.01 12.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.645 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.02 130.36 55.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.856 ' HB3' HD21 ' A' ' 76' ' ' LEU . 42.8 tp -150.24 95.66 2.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.532 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.6 OUTLIER 58.12 60.03 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.579 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.487 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 52.54 82.33 0.04 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.52 1.137 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 175.76 140.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 0.788 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -98.37 95.72 7.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.856 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -77.59 124.83 28.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' ARG . 7.0 m -89.22 101.83 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.993 HD13 HG22 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -86.71 141.32 28.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 12' ' ' GLU . 80.3 mtt180 -152.63 158.01 33.34 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 119.72 5.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.79 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.18 154.26 93.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.567 1.825 . . . . 0.0 110.98 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.65 ' O ' HG23 ' A' ' 53' ' ' THR . 2.1 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -133.13 150.13 52.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.696 HG13 HD21 ' A' ' 64' ' ' LEU . 87.0 t -141.26 116.65 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.91 115.59 15.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.344 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.943 HG22 HD13 ' A' ' 78' ' ' LEU . 71.6 t -95.74 143.09 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.94 149.22 52.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.3 66.93 2.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.662 HD22 HD11 ' A' ' 25' ' ' LEU . 3.6 tp -128.21 117.4 20.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.542 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.1 Cg_endo -75.04 147.72 34.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -74.98 -37.15 2.16 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.462 1.77 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.37 -28.48 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' A' ' 18' ' ' PRO . 21.5 t -87.57 123.61 69.16 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 153.48 42.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -57.36 -32.76 67.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -46.09 -54.67 8.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.683 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -65.24 -49.6 69.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.674 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -40.05 -44.59 1.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.432 ' H ' ' HG1' ' A' ' 26' ' ' THR . 66.6 p -80.78 -51.75 8.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.463 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.781 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -43.06 -33.13 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -79.32 -67.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.492 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 13.6 m-85 -49.75 -30.97 10.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 111.044 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -71.83 -45.92 59.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.341 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -64.33 143.38 57.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -30.49 17.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -74.41 -32.24 62.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.348 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -74.14 -39.11 63.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.321 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.99 -66.45 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 110.037 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.86 52.11 0.21 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.75 -140.42 5.6 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.02 -151.67 5.53 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 133.44 16.57 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.53 1.805 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.45 ' CG1' HD21 ' A' ' 52' ' ' LEU . 45.5 t -90.13 128.19 42.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.402 HD23 ' HG3' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -67.54 -55.78 12.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.87 179.28 9.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.608 ' CE3' HD12 ' A' ' 52' ' ' LEU . 7.4 t-105 -145.47 111.04 5.4 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.453 ' HG2' HD21 ' A' ' 46' ' ' LEU . 1.4 tt0 -98.61 102.06 13.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.82 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -82.88 122.59 28.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.82 HD22 ' C ' ' A' ' 45' ' ' ARG . 3.3 mm? -126.41 91.69 3.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.02 -117.28 8.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.57 1.169 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.5 m -50.71 -79.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -102.92 -106.47 3.05 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.98 177.26 17.8 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.6 t -96.06 130.67 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.608 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.2 tt -109.36 153.49 23.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 9' ' ' VAL . 97.1 m -117.88 126.69 52.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.421 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.587 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 26.0 m-85 -106.83 113.73 27.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 54' ' ' PHE . 51.5 ttt180 -38.2 -54.55 1.38 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.97 130.32 23.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.569 ' CB ' HG21 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.01 -33.66 4.4 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.544 1.813 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.13 -46.62 89.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -40.09 77.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.587 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -57.35 -40.86 78.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -52.56 -51.59 58.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -32.98 50.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 38.7 t -74.95 -34.23 32.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.696 HD21 HG13 ' A' ' 11' ' ' VAL . 13.1 mt -75.36 -47.32 28.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -39.25 -31.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.429 ' N ' ' C ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -97.32 104.99 17.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.31 0.68 18.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -116.98 135.74 53.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.248 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.874 ' CD2' HD23 ' A' ' 78' ' ' LEU . 72.1 m-70 -151.15 144.05 24.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.567 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -128.21 130.3 47.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.674 ' CD2' HD12 ' A' ' 25' ' ' LEU . 13.8 tp -149.5 99.38 2.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.232 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.525 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.5 OUTLIER 59.49 68.59 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.621 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.572 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 40.89 87.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 171.58 146.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 0.794 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.47 ' C ' HD13 ' A' ' 76' ' ' LEU . 11.0 pt20 -99.42 107.88 20.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.738 ' H ' HD22 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -94.23 116.93 29.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.8 112.99 23.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.943 HD13 HG22 ' A' ' 13' ' ' VAL . 1.5 mm? -94.14 137.66 33.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -152.65 160.72 30.76 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 117.38 4.88 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.12 155.83 89.46 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 111.027 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.566 HG11 ' HA ' ' A' ' 57' ' ' PRO . 22.1 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.82 148.44 50.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 88.1 t -131.38 119.07 42.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.456 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 18.2 tt0 -75.53 111.43 10.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.027 HG22 HD13 ' A' ' 78' ' ' LEU . 75.5 t -94.37 134.42 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -134.2 146.49 50.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.74 67.54 1.72 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.642 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.7 OUTLIER -133.01 125.03 18.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.642 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.4 Cg_endo -74.95 147.52 34.28 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.1 Cg_endo -75.07 -29.36 8.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.4 -26.68 13.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.437 HG11 ' HG ' ' A' ' 71' ' ' LEU . 24.3 t -91.83 122.47 65.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.327 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.454 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.2 Cg_endo -75.0 162.29 37.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -63.26 -39.54 94.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.443 ' HG2' HD23 ' A' ' 24' ' ' LEU . 6.1 tt0 -40.4 -52.78 2.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.724 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -66.93 -49.17 66.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.766 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -40.15 -43.94 1.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 49.5 p -81.04 -52.22 7.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.417 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.778 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -42.03 -33.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -79.66 -63.37 1.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.521 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 15.1 m-85 -53.98 -49.54 68.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -50.44 -51.61 45.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.239 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.449 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 3.9 t-20 -56.35 144.79 29.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.25 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -83.1 -57.93 3.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -47.47 -47.38 27.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.449 ' CG ' ' HB3' ' A' ' 31' ' ' ASN . 18.0 mmm180 -53.21 -63.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.7 p -116.61 -68.11 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 130.01 59.48 0.1 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.14 -148.76 6.49 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.71 -149.45 5.36 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 97.02 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.553 1.818 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.2 t -50.24 122.86 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -56.83 16.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.0 179.04 9.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.844 ' CE3' HD12 ' A' ' 52' ' ' LEU . 8.0 t-105 -151.21 111.66 4.18 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -99.86 97.25 8.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.503 ' HG3' ' CZ2' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -73.57 131.46 41.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.554 HD12 ' HA2' ' A' ' 50' ' ' GLY . 81.0 mt -113.9 -169.54 1.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 46' ' ' LEU . . . -35.45 -65.93 0.41 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 m -100.65 -75.43 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.69 -107.51 1.06 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.554 ' HA2' HD12 ' A' ' 46' ' ' LEU . . . 141.97 170.46 12.52 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.525 HG23 HD11 ' A' ' 46' ' ' LEU . 2.9 t -92.92 127.29 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.844 HD12 ' CE3' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -109.69 156.41 20.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.7 m -125.3 133.8 52.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.391 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.758 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 14.5 m-85 -111.53 119.03 37.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -39.04 -55.49 1.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -100.08 150.61 37.04 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.566 ' HA ' HG11 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.06 -51.24 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.524 1.802 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.76 -42.45 93.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.645 ' O ' HG23 ' A' ' 63' ' ' VAL . 45.1 m-20 -59.36 -30.01 68.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.758 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -78.89 -43.06 25.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.371 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.3 -43.25 99.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.351 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -56.92 -17.55 10.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 59' ' ' ASP . 56.6 t -91.51 -44.72 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.496 ' HA ' HD23 ' A' ' 64' ' ' LEU . 10.6 mt -61.98 -38.08 87.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.81 -30.19 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.454 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 1.5 tt0 -92.5 112.79 24.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.88 2.37 20.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -129.06 149.71 50.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.356 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.663 ' CD2' HD23 ' A' ' 78' ' ' LEU . 84.3 m-70 -153.98 137.21 15.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.624 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -124.41 121.96 36.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.766 ' CD2' HD12 ' A' ' 25' ' ' LEU . 12.5 tp -143.93 100.02 3.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.456 ' NE2' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER 64.62 54.46 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.571 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 50.69 77.61 0.12 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -177.92 137.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.324 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -91.32 100.57 13.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.659 ' H ' HD22 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -80.54 130.24 35.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 m -95.64 99.83 11.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 1.027 HD13 HG22 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -86.84 143.11 27.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -152.75 161.09 30.09 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 113.56 3.82 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.514 1.797 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.456 ' HB2' ' N ' ' A' ' 12' ' ' GLU . . . -66.84 160.67 67.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.489 HG21 ' CA ' ' A' ' 57' ' ' PRO . 6.1 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -126.29 144.31 50.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.607 HG13 ' O ' ' A' ' 79' ' ' ARG . 96.2 t -126.77 124.69 65.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.485 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 4.7 tm-20 -75.87 117.66 17.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.9 HG22 HD13 ' A' ' 78' ' ' LEU . 91.1 t -101.13 129.79 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -129.8 145.5 51.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.418 ' O ' HD13 ' A' ' 76' ' ' LEU . . . 77.44 61.25 2.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.543 1.152 . . . . 0.0 111.051 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.615 HD13 ' CD1' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -132.9 123.02 17.9 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 109.334 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.517 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.4 Cg_endo -75.0 149.17 36.27 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.799 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.5 Cg_endo -74.91 -29.87 7.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.515 1.797 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.99 -30.85 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t -87.39 128.31 55.54 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.4 24.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -76.06 -12.52 60.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.15 -46.87 75.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.34 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.656 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -72.13 -51.61 20.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.615 ' CD1' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -39.14 -38.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' GLU . 29.5 p -85.6 -50.89 6.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.357 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.771 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -44.05 -34.38 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.472 ' CB ' HD13 ' A' ' 71' ' ' LEU . 22.6 t80 -76.97 -62.22 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.612 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 15.7 m-85 -57.38 -17.76 14.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' THR . 2.0 mt-10 -86.5 -43.18 12.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.47 124.46 23.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -24.3 54.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -48.43 17.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -66.97 -49.32 65.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' A' ' 36' ' ' GLY . 0.4 OUTLIER -102.95 -82.25 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.404 ' N ' ' OG ' ' A' ' 35' ' ' SER . . . 123.91 61.42 0.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.437 ' HA3' ' CG2' ' A' ' 63' ' ' VAL . . . -142.07 -109.91 0.77 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.76 -153.56 7.13 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 156.16 42.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.558 1.82 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 71.8 t -110.99 125.06 68.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -66.44 -55.08 17.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 t -157.26 178.92 9.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.627 ' CE3' HD12 ' A' ' 52' ' ' LEU . 10.4 t-105 -146.75 140.41 25.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 107.982 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.608 ' HG2' HD21 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -128.49 111.35 13.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.318 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.569 ' C ' HD22 ' A' ' 46' ' ' LEU . 5.0 ttp180 -86.53 110.96 20.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.608 HD21 ' HG2' ' A' ' 44' ' ' GLN . 3.3 mm? -123.49 92.25 3.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 60.57 -145.85 47.07 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.4 m -65.61 78.31 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . 128.79 -130.07 6.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 138.27 173.26 12.88 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.5 t -102.99 127.51 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.318 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.627 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.1 tt -109.59 151.1 27.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.9 m -119.59 128.2 53.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.861 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 22.7 m-85 -104.93 126.68 52.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.524 ' HA ' HD12 ' A' ' 41' ' ' LEU . 48.4 ttt85 -40.11 -60.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -102.4 157.21 34.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.489 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.3 Cg_endo -75.0 -52.86 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.445 1.761 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.81 -38.69 82.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -66.72 -19.11 65.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.861 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -93.3 -32.29 14.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.426 ' HG2' ' N ' ' A' ' 62' ' ' ARG . 3.5 pt-20 -72.42 -39.16 68.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.426 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -58.08 -19.62 33.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.513 HG21 ' CE2' ' A' ' 54' ' ' PHE . 22.9 t -90.0 -46.66 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.362 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.521 ' HA ' HD23 ' A' ' 64' ' ' LEU . 10.4 mt -59.3 -40.11 85.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.73 -30.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.439 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 8.6 tt0 -86.32 116.31 24.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.16 2.74 19.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 109.287 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -129.15 147.3 50.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.71 ' CG ' HD23 ' A' ' 78' ' ' LEU . 75.7 m-70 -153.04 126.23 8.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.568 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.87 129.38 50.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.61 ' CD2' HD12 ' A' ' 25' ' ' LEU . 2.2 tp -149.49 105.73 3.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.571 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER 61.41 68.53 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 109.612 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.58 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 37.64 88.74 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.454 1.096 . . . . 0.0 111.019 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 170.68 148.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.367 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -101.1 105.8 17.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.722 ' N ' HD22 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -91.46 131.42 36.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.0 m -98.38 99.91 11.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.9 HD13 HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -86.73 139.0 31.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.607 ' O ' HG13 ' A' ' 11' ' ' VAL . 2.0 mtt85 -152.76 162.49 26.29 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 114.63 4.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.55 1.816 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.677 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -67.22 170.47 6.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.677 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.523 1.802 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.729 HG21 ' HA ' ' A' ' 57' ' ' PRO . 41.1 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -133.47 143.81 49.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 79' ' ' ARG . 89.1 t -128.34 120.63 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.415 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -73.69 114.61 12.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.265 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.004 HG22 HD13 ' A' ' 78' ' ' LEU . 96.3 t -95.62 135.18 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 77' ' ' SER . 2.6 ttm180 -134.29 146.94 50.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.3 65.24 2.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.695 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.4 OUTLIER -129.39 126.68 22.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.556 0.798 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.695 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.97 151.38 39.59 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.53 1.805 . . . . 0.0 111.045 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.97 -43.79 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.515 1.797 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.5 -37.44 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.506 HG11 ' HG ' ' A' ' 71' ' ' LEU . 40.5 t -80.57 122.21 82.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.475 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.6 Cg_endo -74.9 179.91 5.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' GLU . 4.7 p-10 -76.89 -45.94 26.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 22' ' ' ASP . 1.1 pm0 -35.3 -51.05 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.761 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -66.95 -52.75 39.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.731 HD22 ' CE2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -39.67 -37.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.8 p -87.95 -49.08 7.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.426 1.079 . . . . 0.0 110.385 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.775 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -45.91 -30.21 1.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.402 ' CE1' ' O ' ' A' ' 70' ' ' GLU . 58.0 t80 -82.81 -64.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.655 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 13.3 m-85 -54.04 -27.25 31.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -75.74 -45.44 36.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.65 139.17 57.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 33' ' ' ARG . 10.0 ptt180 -83.94 -37.08 22.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -63.84 -49.64 72.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -58.24 -58.95 6.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.527 ' OG ' HG13 ' A' ' 63' ' ' VAL . 2.9 t -104.86 -82.07 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.53 79.91 0.33 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.554 1.159 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.14 -89.52 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.04 -153.55 11.76 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.93 21.53 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.7 t -121.21 123.45 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -54.63 23.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.86 179.5 9.05 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.731 ' CE2' HD22 ' A' ' 25' ' ' LEU . 8.6 t-105 -147.01 122.24 10.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 108.01 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.462 ' HG2' HD21 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -111.59 104.56 12.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.877 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -82.9 121.01 26.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 110.338 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.877 HD22 ' C ' ' A' ' 45' ' ' ARG . 3.4 mm? -130.24 87.6 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.35 -117.58 4.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 97.2 m -81.84 -51.27 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.71 -120.49 4.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 139.14 166.42 10.6 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.3 t -89.8 124.04 42.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.773 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.632 HD12 ' CE3' ' A' ' 43' ' ' TRP . 3.3 tt -109.88 153.26 24.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 9' ' ' VAL . 54.3 m -120.87 138.05 54.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.674 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 16.0 m-85 -112.3 125.24 53.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.0 ttt85 -38.13 -60.77 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -99.39 155.7 36.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.729 ' HA ' HG21 ' A' ' 9' ' ' VAL . 18.3 Cg_endo -74.99 -53.16 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.556 1.819 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.81 -39.52 89.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -61.22 -25.17 66.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.674 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -81.62 -53.59 6.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -56.4 -36.66 69.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -27.44 40.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.571 HG12 ' HE1' ' A' ' 69' ' ' HIS . 41.5 t -85.91 -44.92 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 64' ' ' LEU . 9.9 mt -56.75 -38.88 73.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.45 -36.14 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.443 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 0.2 OUTLIER -88.0 116.26 26.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.14 2.56 20.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -125.72 145.22 50.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.669 ' CD2' HD23 ' A' ' 78' ' ' LEU . 65.8 m-70 -148.67 134.22 18.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.579 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.402 ' O ' ' CE1' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -119.43 132.26 55.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.711 ' HB3' HD21 ' A' ' 76' ' ' LEU . 43.6 tp -152.53 95.62 2.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 60.45 61.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.557 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 48.52 76.84 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -177.74 132.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.746 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -87.93 97.49 10.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.711 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -78.57 125.4 29.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.142 . . . . 0.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 14' ' ' ARG . 13.7 m -90.93 101.05 13.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 1.004 HD13 HG22 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -86.57 143.9 27.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.478 ' O ' HG13 ' A' ' 11' ' ' VAL . 31.9 mtt-85 -152.76 158.44 33.11 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.132 . . . . 0.0 110.255 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 115.53 4.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.485 1.782 . . . . 0.0 111.044 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.415 ' HB2' ' N ' ' A' ' 12' ' ' GLU . . . -66.96 158.09 82.14 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 111.006 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 53' ' ' THR . 2.0 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -136.07 144.57 45.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 79' ' ' ARG . 77.5 t -132.32 118.83 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -74.81 116.11 15.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 110.338 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.922 HG22 HD13 ' A' ' 78' ' ' LEU . 88.3 t -103.43 136.99 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.488 ' HG2' ' CB ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -139.06 149.2 44.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.93 42.52 10.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.602 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -111.91 123.47 34.49 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.777 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.602 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.96 147.94 34.8 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.458 1.767 . . . . 0.0 111.035 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.0 -32.98 4.93 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.479 1.779 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.49 -31.78 4.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -87.24 124.42 68.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 161.46 38.8 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.478 1.778 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 26' ' ' THR . 11.9 p-10 -62.84 -39.41 94.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.472 ' HG2' HD23 ' A' ' 24' ' ' LEU . 5.5 tt0 -39.95 -55.75 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.754 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -63.08 -50.78 69.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.709 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -40.31 -42.17 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 22' ' ' ASP . 45.4 p -83.81 -51.15 7.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.432 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.776 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -43.26 -31.91 0.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.351 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.432 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 24.4 t80 -81.65 -65.24 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 15.2 m-85 -51.08 -49.93 59.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -51.58 -50.76 59.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -55.56 147.71 17.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.228 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -64.03 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.8 -51.45 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.432 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 6.8 mmp_? -46.53 -67.08 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 88.3 p -115.24 -72.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.017 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 134.33 60.38 0.07 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.36 -151.65 7.57 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.1 -154.04 6.95 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 97.85 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.002 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.8 t -45.93 119.51 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -58.45 -53.78 54.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.1 t -154.7 172.95 17.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.791 ' CE3' HD12 ' A' ' 52' ' ' LEU . 15.1 t-105 -146.22 130.75 17.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 107.966 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -126.62 97.39 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -71.84 121.35 18.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.8 mt -112.04 -167.94 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -42.85 -87.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.14 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 61.7 m -55.34 -77.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.09 -85.86 1.23 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 145.42 159.57 8.19 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.1 t -86.94 127.73 40.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.791 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -110.03 148.94 30.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.376 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 9' ' ' VAL . 7.7 m -115.39 122.12 44.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.365 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.65 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 9.2 m-85 -98.91 113.3 25.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.457 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 58.2 ttt-85 -38.57 -42.88 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.72 133.73 23.59 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.554 ' CB ' HG21 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.01 -36.12 2.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.09 -37.8 86.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.594 ' O ' HG23 ' A' ' 63' ' ' VAL . 63.3 m-20 -78.71 -24.51 44.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.65 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -77.29 -41.78 39.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -52.99 -47.99 67.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.252 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.12 -33.18 62.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 59' ' ' ASP . 21.6 t -75.16 -36.8 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.508 HD21 HG13 ' A' ' 11' ' ' VAL . 12.7 mt -70.89 -43.74 67.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.32 -33.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.405 ' N ' ' C ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -94.02 106.26 18.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.45 -0.08 18.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.413 ' O ' ' CD2' ' A' ' 69' ' ' HIS . 3.9 t70 -119.44 139.73 51.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.77 ' CD2' HD23 ' A' ' 78' ' ' LEU . 67.7 m-70 -150.95 134.82 16.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.603 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.6 124.26 44.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.709 ' CD2' HD12 ' A' ' 25' ' ' LEU . 15.0 tp -145.15 102.63 3.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.455 ' NE2' HD13 ' A' ' 24' ' ' LEU . 0.6 OUTLIER 58.69 65.89 1.16 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 109.579 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.623 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 41.95 86.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 168.42 139.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.41 ' C ' HD13 ' A' ' 76' ' ' LEU . 11.4 pt20 -93.77 110.13 21.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.71 HD22 ' O ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -90.25 131.76 35.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.488 ' CB ' ' HG2' ' A' ' 14' ' ' ARG . 0.9 OUTLIER -94.34 105.59 17.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.922 HD13 HG22 ' A' ' 13' ' ' VAL . 1.1 mm? -93.8 133.92 36.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.54 ' O ' HG13 ' A' ' 11' ' ' VAL . 29.6 mtt-85 -152.65 161.4 29.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 115.21 4.22 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.424 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -67.23 162.35 55.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.424 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.566 HG21 ' CB ' ' A' ' 57' ' ' PRO . 2.0 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -136.73 140.21 42.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.6 t -128.32 118.19 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' ARG . 52.6 tt0 -73.64 108.92 6.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.948 HG22 HD13 ' A' ' 78' ' ' LEU . 97.7 t -91.47 139.44 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -136.55 145.14 44.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.09 66.52 2.01 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.673 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -135.06 126.34 17.59 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 109.265 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.673 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.98 146.82 33.18 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.537 1.809 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.98 -35.21 3.29 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.797 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.33 -45.0 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.5 t -72.39 127.27 90.38 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 168.91 23.79 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.475 1.776 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 26' ' ' THR . 9.7 p-10 -73.45 -22.92 60.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.454 ' HB2' HD23 ' A' ' 24' ' ' LEU . 1.2 mt-10 -55.36 -52.81 62.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.733 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -67.31 -48.74 66.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.832 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -40.62 -45.84 2.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 22' ' ' ASP . 73.8 p -78.06 -50.75 11.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.772 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -44.28 -31.84 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -79.47 -66.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.551 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 19.6 m-85 -52.58 -29.73 27.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -73.34 -45.51 54.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.12 137.72 57.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -85.68 -37.84 18.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.6 mtt85 -63.03 -46.15 88.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.266 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -58.63 -63.45 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.78 -73.14 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.7 65.75 0.16 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.93 -131.48 2.71 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.65 -156.04 6.67 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.17 31.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.447 1.761 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.0 t -98.81 129.54 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.358 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -55.41 8.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.41 179.35 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.959 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.524 ' CZ2' ' HA ' ' A' ' 45' ' ' ARG . 9.5 t-105 -148.44 132.55 17.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 108.022 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -121.31 97.26 5.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.524 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 11.7 ttp180 -74.26 130.03 38.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 45' ' ' ARG . 64.9 mt -131.21 98.69 4.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.22 -117.82 5.33 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 58.9 m -88.38 62.19 6.53 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 146.39 -140.21 8.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 140.36 161.57 8.76 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.0 t -92.72 130.81 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.873 HD22 ' CE1' ' A' ' 54' ' ' PHE . 5.2 tt -109.88 150.92 27.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 9' ' ' VAL . 13.8 m -115.59 120.89 40.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.873 ' CE1' HD22 ' A' ' 52' ' ' LEU . 23.1 m-85 -102.05 119.29 38.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.6 ttt85 -41.46 -56.14 2.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 1.0 OUTLIER -105.44 133.06 20.36 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.08 . . . . 0.0 110.284 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.566 ' CB ' HG21 ' A' ' 9' ' ' VAL . 18.1 Cg_endo -74.97 -34.94 3.47 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.504 1.792 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.85 -50.92 72.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.641 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.6 OUTLIER -64.69 -39.27 93.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.456 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -57.57 -40.69 79.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -59.34 -46.47 88.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -24.32 63.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.266 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 59' ' ' ASP . 39.3 t -83.66 -39.87 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' A' ' 66' ' ' GLN . 11.7 mt -67.59 -43.64 80.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -39.44 -30.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.437 ' N ' ' C ' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -89.51 112.23 23.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.36 2.08 19.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -123.16 141.09 52.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.69 ' CD2' HD23 ' A' ' 78' ' ' LEU . 68.7 m-70 -147.43 121.17 9.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.57 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.94 130.99 53.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.912 ' HB3' HD21 ' A' ' 76' ' ' LEU . 27.1 tp -151.48 95.51 2.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.434 ' NE2' HD13 ' A' ' 24' ' ' LEU . 0.8 OUTLIER 60.77 50.25 5.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.58 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.39 73.79 0.43 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.95 127.78 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.763 . . . . 0.0 109.305 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -88.65 93.48 9.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.912 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -76.61 135.03 39.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.8 m -95.4 100.52 12.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.948 HD13 HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -86.85 137.12 32.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 12' ' ' GLU . 78.1 mtt180 -152.59 157.29 33.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 122.73 7.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.1 158.49 81.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.493 1.786 . . . . 0.0 111.019 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.624 HG21 ' CA ' ' A' ' 57' ' ' PRO . 29.0 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -128.48 151.97 48.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.559 HG13 HD21 ' A' ' 64' ' ' LEU . 86.9 t -135.72 118.99 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.33 110.79 9.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.865 HG22 ' CD1' ' A' ' 78' ' ' LEU . 75.5 t -89.5 136.22 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.473 ' HG3' ' N ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -131.21 142.05 50.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.473 ' N ' ' HG3' ' A' ' 14' ' ' ARG . . . 75.69 68.98 1.45 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.744 HD13 ' CD1' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -134.59 124.76 17.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 109.269 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.635 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.4 Cg_endo -75.02 150.12 37.61 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.538 1.809 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -40.58 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.432 1.753 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.34 -41.58 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.5 HG11 ' HG ' ' A' ' 71' ' ' LEU . 58.6 t -72.38 120.82 82.61 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.473 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.4 Cg_endo -74.99 149.24 36.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.547 1.814 . . . . 0.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -51.67 -38.3 54.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -41.57 -55.56 2.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.7 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -64.68 -51.67 61.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.966 HD12 ' CD2' ' A' ' 71' ' ' LEU . 2.8 tp -39.59 -44.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.0 p -79.5 -46.81 16.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.776 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.82 -38.07 33.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.484 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 28.6 t80 -71.57 -60.14 2.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.48 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 13.3 m-85 -55.79 -40.62 72.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -61.2 -48.54 81.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.442 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 2.7 t-20 -58.08 143.07 44.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -60.25 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -47.44 -53.76 13.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.484 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 86.0 mmt-85 -42.81 -60.69 1.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -125.3 -68.65 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 120.95 75.0 0.39 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.37 -102.1 0.78 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.35 -155.62 18.24 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 103.07 1.67 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.619 HG13 HD21 ' A' ' 52' ' ' LEU . 55.0 t -57.45 120.74 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.457 HD23 ' HG3' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -60.71 -56.81 16.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.59 179.6 8.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.746 ' CE3' HD12 ' A' ' 52' ' ' LEU . 9.0 t-105 -148.22 114.83 5.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 107.987 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -105.9 97.71 7.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.43 127.26 32.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.3 mt -119.39 73.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.43 -90.67 0.73 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.122 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.8 m -80.95 -77.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.595 ' HA2' HD23 ' A' ' 16' ' ' LEU . . . -89.02 -112.6 1.26 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.82 168.26 12.06 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.8 t -93.34 129.56 43.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.746 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.1 tt -109.6 153.42 24.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.6 m -119.6 135.83 54.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.605 ' CE2' HG21 ' A' ' 63' ' ' VAL . 17.4 m-85 -113.94 122.93 48.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.457 ' HG3' HD23 ' A' ' 41' ' ' LEU . 44.0 ttt180 -38.13 -59.63 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -98.1 154.13 37.84 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.624 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.5 Cg_endo -74.99 -52.04 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.461 1.769 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.69 75.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -65.52 -17.72 64.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.572 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -93.43 -40.95 10.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 62' ' ' ARG . 4.2 pt-20 -61.82 -40.59 95.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.342 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.411 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -57.63 -36.08 71.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.605 HG21 ' CE2' ' A' ' 54' ' ' PHE . 60.1 t -73.7 -39.99 53.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.559 HD21 HG13 ' A' ' 11' ' ' VAL . 13.6 mt -65.95 -44.43 85.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -38.8 -31.0 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 64' ' ' LEU . 1.1 tt0 -97.75 107.67 20.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.58 0.52 19.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -118.27 135.21 54.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.922 ' O ' HD22 ' A' ' 76' ' ' LEU . 85.1 m-70 -153.1 125.01 7.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.614 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.99 142.93 38.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.966 ' CD2' HD12 ' A' ' 25' ' ' LEU . 44.5 tp -154.24 95.77 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 54.41 66.91 1.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.589 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.621 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 49.89 82.18 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 168.49 126.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -87.95 112.01 22.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.922 HD22 ' O ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -90.2 121.43 32.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' ARG . 20.3 m -87.81 104.78 16.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.865 ' CD1' HG22 ' A' ' 13' ' ' VAL . 1.6 mm? -86.47 141.53 29.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -152.78 159.05 32.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 117.19 4.81 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.646 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -67.15 169.18 8.99 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.646 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.603 HG21 ' CA ' ' A' ' 57' ' ' PRO . 16.5 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -130.32 143.88 51.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.444 HG13 ' O ' ' A' ' 79' ' ' ARG . 52.8 t -127.32 124.38 63.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.94 116.62 14.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.974 HG22 HD13 ' A' ' 78' ' ' LEU . 85.4 t -96.4 132.37 40.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 77' ' ' SER . 14.8 ttm180 -132.89 147.13 52.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.18 68.5 1.59 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.678 HD12 ' HD2' ' A' ' 17' ' ' PRO . 1.2 tp -134.52 124.58 17.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.678 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.4 Cg_endo -74.99 151.93 40.16 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.457 1.767 . . . . 0.0 111.051 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.422 ' C ' ' N ' ' A' ' 20' ' ' VAL . 18.2 Cg_endo -75.02 -43.11 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.444 1.76 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.87 -28.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.422 ' N ' ' C ' ' A' ' 18' ' ' PRO . 57.1 t -88.92 121.55 69.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.483 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.3 Cg_endo -74.99 -179.67 5.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' GLU . 6.0 p-10 -77.23 -46.24 23.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 22' ' ' ASP . 1.2 pm0 -35.08 -51.06 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.753 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -66.27 -52.77 44.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.794 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -39.16 -40.19 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.8 p -84.41 -50.87 7.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.767 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -42.8 -31.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.402 ' CB ' HD13 ' A' ' 71' ' ' LEU . 9.8 t80 -82.49 -63.0 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.683 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 15.5 m-85 -54.07 -44.91 71.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -61.56 -44.6 96.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -55.45 134.67 50.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 ptt-85 -86.92 -29.65 21.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -45.41 19.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -62.33 -51.72 66.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.356 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.61 -77.29 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.006 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.48 73.01 0.5 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.501 1.125 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.75 -81.04 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.95 -157.18 28.52 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.423 ' HG2' ' CD ' ' A' ' 55' ' ' ARG . 18.3 Cg_endo -74.97 155.01 43.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.4 t -104.53 122.43 57.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -63.02 -53.23 57.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.0 179.56 9.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.638 ' CE3' HD12 ' A' ' 52' ' ' LEU . 8.8 t-105 -147.36 125.39 12.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 107.992 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -115.97 99.08 7.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.684 ' O ' HD23 ' A' ' 46' ' ' LEU . 6.1 ttp180 -80.48 131.11 35.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.684 HD23 ' O ' ' A' ' 45' ' ' ARG . 57.6 mt -128.34 -134.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -68.71 100.74 0.71 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.2 m 69.47 -65.43 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . -90.13 -114.07 1.57 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 135.69 173.97 13.21 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' GLN . 2.6 t -96.81 127.64 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.638 HD12 ' CE3' ' A' ' 43' ' ' TRP . 2.3 tt -110.58 152.2 26.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.4 m -122.04 132.71 54.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.408 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.911 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 13.9 m-85 -106.94 137.21 45.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.45 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 28.3 ttt180 -45.13 -62.29 1.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -103.7 160.22 26.81 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.603 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.1 Cg_endo -75.02 -46.33 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.448 1.762 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 62' ' ' ARG . . . -61.76 -44.04 97.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.613 ' O ' HG23 ' A' ' 63' ' ' VAL . 53.1 m-20 -57.7 -42.65 84.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.911 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -67.4 -36.26 80.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -74.0 -34.52 64.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -62.52 -19.32 63.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 59' ' ' ASP . 44.1 t -92.94 -44.2 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.491 ' HA ' HD23 ' A' ' 64' ' ' LEU . 9.2 mt -57.63 -38.78 75.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.21 -31.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.451 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 5.4 tt0 -90.51 114.88 27.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.04 2.38 20.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -127.7 147.65 50.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.364 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.678 ' CD2' HD23 ' A' ' 78' ' ' LEU . 61.2 m-70 -150.5 135.96 18.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.592 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.07 124.91 45.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.794 ' CD2' HD12 ' A' ' 25' ' ' LEU . 21.3 tp -144.64 98.93 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.546 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER 57.29 58.58 3.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.596 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.533 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 52.34 84.18 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 173.88 133.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.272 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -89.48 96.04 10.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.671 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -77.23 126.34 30.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ARG . 6.4 m -92.97 99.69 12.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.974 HD13 HG22 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -88.07 143.69 26.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.444 ' O ' HG13 ' A' ' 11' ' ' VAL . 1.8 mtt85 -152.61 161.97 27.75 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.364 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 118.54 5.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.499 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -67.38 164.75 34.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.499 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.637 HG11 ' HA ' ' A' ' 57' ' ' PRO . 3.1 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -135.53 143.67 45.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.624 ' CG1' HD21 ' A' ' 64' ' ' LEU . 57.8 t -127.33 119.13 51.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -76.66 115.99 16.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.283 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.959 HG22 HD13 ' A' ' 78' ' ' LEU . 84.3 t -97.08 139.51 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -134.28 147.07 50.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.504 ' O ' HD13 ' A' ' 76' ' ' LEU . . . 69.98 66.45 2.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.743 HD12 ' HD2' ' A' ' 17' ' ' PRO . 2.3 tp -128.27 124.74 23.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.743 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.2 Cg_endo -75.04 150.07 37.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.98 -36.92 2.28 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.459 1.768 . . . . 0.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.49 -34.21 2.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.425 HG11 ' HG ' ' A' ' 71' ' ' LEU . 18.9 t -86.57 120.47 71.99 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.3 Cg_endo -75.02 -179.94 5.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 23' ' ' GLU . 6.0 p-10 -76.72 -46.42 25.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 22' ' ' ASP . 0.9 OUTLIER -35.13 -49.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.756 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -69.5 -53.3 19.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.726 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -39.78 -39.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' GLU . 49.9 p -83.04 -46.47 12.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.366 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.757 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.82 -30.57 14.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -80.41 -49.87 10.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 22.6 m-85 -76.62 0.84 18.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' THR . 17.2 mt-10 -101.32 -39.5 7.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.274 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.459 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -74.63 127.37 32.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -66.31 -53.29 38.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -50.06 62.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.459 ' CG ' ' HB3' ' A' ' 31' ' ' ASN . 0.2 OUTLIER -52.84 -62.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -105.76 -73.74 0.67 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 109.967 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.41 ' N ' ' OG ' ' A' ' 35' ' ' SER . . . 121.53 49.75 0.26 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.31 -100.67 1.48 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.28 -155.02 11.88 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 141.01 25.95 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.548 1.814 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.5 t -95.76 122.12 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -55.42 30.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.25 179.29 9.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.75 ' CE3' HD12 ' A' ' 52' ' ' LEU . 11.1 t-105 -151.16 132.12 14.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 107.978 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -124.04 97.24 5.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.755 ' O ' HD23 ' A' ' 46' ' ' LEU . 31.5 ttp180 -69.5 136.71 51.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.343 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.755 HD23 ' O ' ' A' ' 45' ' ' ARG . 31.8 mt -143.34 128.81 19.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.371 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' LEU . . . 37.93 -116.06 0.43 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 23.6 p -101.29 51.76 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' LEU . . . 166.85 -128.48 1.75 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 136.16 160.93 8.97 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.7 t -91.39 128.47 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.75 HD12 ' CE3' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -109.75 156.64 20.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 9' ' ' VAL . 29.0 m -123.71 133.69 53.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.611 ' CE2' HG21 ' A' ' 63' ' ' VAL . 16.4 m-85 -112.61 121.12 43.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.1 ttt-85 -38.75 -57.55 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -99.32 151.23 37.34 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.083 . . . . 0.0 110.356 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.637 ' HA ' HG11 ' A' ' 9' ' ' VAL . 18.3 Cg_endo -74.94 -51.21 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.31 -44.02 88.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.651 ' O ' HG23 ' A' ' 63' ' ' VAL . 35.7 m-20 -56.44 -33.91 66.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.439 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -67.57 -59.04 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -50.76 -46.33 59.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -47.26 -35.95 8.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 59' ' ' ASP . 26.3 t -77.73 -36.73 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.624 HD21 ' CG1' ' A' ' 11' ' ' VAL . 26.8 mt -68.08 -37.92 81.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.06 -31.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.431 ' N ' ' C ' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -93.64 113.77 25.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.95 -0.56 21.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 69' ' ' HIS . 4.4 t70 -124.86 142.67 51.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.564 ' CD2' HD23 ' A' ' 78' ' ' LEU . 96.0 m-70 -156.1 119.05 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.604 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.6 134.1 53.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.726 ' CD2' HD12 ' A' ' 25' ' ' LEU . 4.9 tp -150.92 99.52 2.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.524 ' NE2' HD13 ' A' ' 24' ' ' LEU . 1.7 m-70 65.92 69.46 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.617 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.571 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 37.66 86.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 171.8 148.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.14 100.57 11.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.691 ' N ' HD22 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -88.89 127.3 35.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.2 m -98.33 107.2 19.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.026 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.959 HD13 HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -91.12 137.21 32.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.568 ' O ' HG13 ' A' ' 11' ' ' VAL . 14.7 mtt-85 -152.69 160.09 31.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 120.96 6.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.36 157.99 83.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.525 HG21 ' CA ' ' A' ' 57' ' ' PRO . 14.1 t . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -129.85 145.9 51.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.504 HG13 ' O ' ' A' ' 79' ' ' ARG . 42.5 t -129.21 117.55 43.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 79' ' ' ARG . 3.5 tm-20 -74.6 114.56 13.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.879 HG22 HD13 ' A' ' 78' ' ' LEU . 78.7 t -96.72 135.92 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.3 147.66 51.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.496 ' O ' HD13 ' A' ' 76' ' ' LEU . . . 73.1 68.12 1.66 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.687 HD13 ' CD1' ' A' ' 25' ' ' LEU . 1.9 tp -131.71 120.97 17.88 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.781 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.586 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.03 155.9 42.84 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.407 ' C ' ' N ' ' A' ' 20' ' ' VAL . 18.3 Cg_endo -74.93 -40.72 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.769 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.59 -32.23 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' A' ' 18' ' ' PRO . 4.7 t -85.75 123.49 72.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 170.92 19.35 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.79 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 23' ' ' GLU . 43.4 m-20 -70.5 -55.06 9.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.433 ' CG ' HD23 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -36.24 -44.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 110.272 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -65.4 -65.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.793 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.7 OUTLIER -35.67 -38.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' GLU . 2.1 p -79.88 -47.7 14.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.412 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.807 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -48.26 -40.34 24.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.539 ' HB2' HD13 ' A' ' 71' ' ' LEU . 55.7 t80 -68.88 -52.08 33.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.759 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 19.9 m-85 -68.39 -12.61 61.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' THR . 6.9 mt-10 -88.36 -44.78 10.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -67.07 122.1 17.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -71.5 -21.43 61.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -76.6 -45.14 31.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -62.18 -54.67 37.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.2 p -112.87 -75.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.035 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.59 58.08 0.07 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.12 -124.9 2.68 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.03 -152.71 6.54 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 96.31 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.6 t -44.05 120.88 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -58.85 -57.56 12.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 t -147.84 176.95 9.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.773 ' CE3' HD12 ' A' ' 52' ' ' LEU . 8.6 t-105 -151.16 122.25 7.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 108.065 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -118.07 97.36 5.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -73.75 135.4 43.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.1 mt -133.48 -156.82 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.252 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 48' ' ' CYS . . . -69.15 120.87 10.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 47' ' ' GLY . 27.8 p 39.58 57.21 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 139.8 -141.2 11.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.86 167.07 13.5 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.2 t -93.56 125.02 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.773 HD12 ' CE3' ' A' ' 43' ' ' TRP . 2.1 tt -110.4 153.74 24.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 9' ' ' VAL . 51.3 m -119.51 133.06 55.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.419 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.687 ' CE2' HG21 ' A' ' 63' ' ' VAL . 10.3 m-85 -109.05 122.8 48.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.484 ' HA ' HD12 ' A' ' 41' ' ' LEU . 49.2 ttt85 -41.26 -56.26 2.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -100.28 149.74 36.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.525 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.4 Cg_endo -75.0 -50.31 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.554 1.818 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.73 -45.18 86.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.625 ' O ' HG23 ' A' ' 63' ' ' VAL . 13.4 m-20 -55.33 -36.17 65.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 57' ' ' PRO . . . -64.85 -52.67 55.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 64' ' ' LEU . 33.5 mm-40 -53.89 -52.29 60.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.433 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 5.3 mtt85 -43.81 -42.36 5.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.687 HG21 ' CE2' ' A' ' 54' ' ' PHE . 47.3 t -68.97 -37.11 76.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 61' ' ' GLU . 64.7 mt -69.74 -32.56 71.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 62' ' ' ARG . . . -40.16 -30.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.438 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 2.9 tt0 -103.35 114.28 28.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.69 -0.31 23.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -121.88 139.13 54.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.702 ' CD2' HD23 ' A' ' 78' ' ' LEU . 89.7 m-70 -148.47 128.69 13.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.57 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.72 127.46 50.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.793 ' CD2' HD12 ' A' ' 25' ' ' LEU . 3.0 tp -145.0 98.28 3.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 66.79 68.59 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.593 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.603 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 39.93 88.17 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 169.54 147.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 0.803 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -101.65 105.87 16.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.712 ' N ' HD22 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -91.94 125.86 36.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 m -93.77 101.57 13.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.879 HD13 HG22 ' A' ' 13' ' ' VAL . 1.1 mm? -86.57 136.86 32.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.504 ' O ' HG13 ' A' ' 11' ' ' VAL . 49.6 mtt180 -152.51 158.58 33.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 122.45 7.24 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.447 1.762 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.02 154.78 91.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.538 1.809 . . . . 0.0 110.99 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.66 HG21 ' CA ' ' A' ' 57' ' ' PRO . 24.2 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -129.93 148.79 51.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 79' ' ' ARG . 97.3 t -133.51 123.7 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.78 113.48 10.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.246 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.027 HG22 HD13 ' A' ' 78' ' ' LEU . 75.0 t -95.39 129.94 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 77' ' ' SER . 2.1 ttm180 -131.16 145.63 52.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.97 66.95 1.82 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.616 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.4 OUTLIER -134.99 125.58 17.25 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.563 0.802 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.616 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.98 147.83 34.54 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.534 1.807 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.99 -32.62 5.24 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.11 -41.68 17.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.488 HG11 ' HG ' ' A' ' 71' ' ' LEU . 20.3 t -76.65 124.67 87.8 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 165.7 30.76 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 3.4 p-10 -65.85 -40.19 91.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.485 ' HG2' HD23 ' A' ' 24' ' ' LEU . 8.6 tt0 -38.59 -55.28 1.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.818 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -65.03 -51.06 63.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.809 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -39.34 -43.86 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.462 ' H ' ' HG1' ' A' ' 26' ' ' THR . 48.8 p -81.08 -50.34 9.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.773 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -44.97 -34.14 2.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.52 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 46.5 t80 -75.27 -65.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.088 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.635 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 21.8 m-85 -53.58 -36.24 61.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -62.78 -48.8 77.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.405 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -69.17 142.81 54.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -78.48 -62.6 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -39.7 -47.49 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.52 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 6.1 mmt85 -51.89 -64.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 28' ' ' TYR . 2.4 p -119.75 -61.86 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.78 70.87 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.28 -151.07 5.37 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.9 -160.46 10.55 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 96.99 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.441 1.758 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.663 ' CG1' HD21 ' A' ' 52' ' ' LEU . 53.7 t -47.14 120.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -56.06 -59.45 4.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.31 179.43 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.024 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.749 ' CE2' HD22 ' A' ' 25' ' ' LEU . 7.8 t-105 -148.36 120.31 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -109.83 97.79 7.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 110.343 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.516 ' HG3' ' CZ2' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -72.11 133.06 44.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.7 mt -128.13 82.96 2.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.34 -85.51 0.1 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 0.0 111.064 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 60.5 m -92.74 -76.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.1 -118.14 0.51 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 134.15 161.52 9.63 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.0 t -88.33 125.67 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.76 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.663 HD21 ' CG1' ' A' ' 40' ' ' VAL . 1.8 tt -109.44 152.35 25.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.102 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 9' ' ' VAL . 62.2 m -121.86 133.35 54.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.453 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.781 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 18.2 m-85 -108.32 129.0 55.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.464 ' HA ' HD23 ' A' ' 41' ' ' LEU . 36.0 ttt85 -38.23 -61.99 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -105.27 161.26 23.3 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.66 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.08 -46.25 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.459 1.768 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.55 99.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.643 ' O ' HG23 ' A' ' 63' ' ' VAL . 79.1 m-20 -57.51 -36.81 72.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.781 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -74.23 -46.57 40.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.44 -48.65 80.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -21.67 1.86 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 59' ' ' ASP . 85.9 t -88.59 -51.96 11.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 64' ' ' LEU . 12.5 mt -54.38 -38.17 65.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.28 -36.23 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.458 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 10.8 tt0 -85.46 118.8 25.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.82 6.06 19.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.19 138.89 51.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.617 ' CD2' HD23 ' A' ' 78' ' ' LEU . 31.8 m-70 -146.51 131.53 18.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.601 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 71' ' ' LEU . 0.7 OUTLIER -120.75 135.67 55.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.809 ' CD2' HD12 ' A' ' 25' ' ' LEU . 26.2 tp -154.13 96.53 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 61.24 62.63 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 109.628 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 46.59 78.0 0.09 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -178.95 135.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -90.02 97.56 11.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.721 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -77.7 126.37 30.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 14' ' ' ARG . 14.3 m -93.53 97.63 10.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 1.027 HD13 HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -87.21 142.05 28.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.496 ' O ' HG13 ' A' ' 11' ' ' VAL . 18.2 mtt180 -152.59 160.63 30.92 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 119.92 5.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.777 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.44 157.84 84.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.495 1.787 . . . . 0.0 110.986 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.691 HG21 ' CA ' ' A' ' 57' ' ' PRO . 58.7 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -130.36 139.91 50.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 79' ' ' ARG . 59.6 t -123.05 124.59 70.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.474 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 5.7 tm-20 -74.94 112.28 11.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.087 HG22 HD13 ' A' ' 78' ' ' LEU . 74.8 t -96.86 135.52 30.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.13 145.94 44.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.93 69.54 1.38 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.442 1.089 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.609 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.6 OUTLIER -136.4 124.63 15.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 0.76 . . . . 0.0 109.284 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.609 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.02 150.58 38.26 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.02 -36.84 2.3 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 110.948 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.07 -41.56 5.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.402 HG11 ' HG ' ' A' ' 71' ' ' LEU . 25.5 t -74.07 122.2 86.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 156.47 43.16 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -59.25 -36.01 74.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -43.12 -55.68 3.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.698 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -62.97 -51.44 66.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.784 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -40.1 -44.92 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.439 ' H ' ' HG1' ' A' ' 26' ' ' THR . 62.6 p -80.04 -51.38 9.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.778 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -43.16 -37.17 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -73.63 -67.22 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.56 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 20.1 m-85 -50.31 -36.74 33.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -66.32 -47.04 74.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.441 ' CB ' ' HG3' ' A' ' 34' ' ' ARG . 1.1 m-20 -60.59 140.15 57.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.5 ptt-85 -89.37 -34.43 16.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -37.57 72.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.441 ' HG3' ' CB ' ' A' ' 31' ' ' ASN . 8.4 mmt180 -64.17 -56.64 13.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.79 -59.86 1.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.69 74.5 0.94 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.56 1.163 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.455 ' HA3' ' CG2' ' A' ' 63' ' ' VAL . . . -139.86 -79.94 0.07 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.49 -158.49 30.27 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.429 ' HG2' ' CD ' ' A' ' 55' ' ' ARG . 18.2 Cg_endo -75.03 147.06 33.3 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 110.931 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 53' ' ' THR . 53.9 t -102.47 132.54 48.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -57.42 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.16 179.35 7.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.927 ' CE3' HD12 ' A' ' 52' ' ' LEU . 7.7 t-105 -148.04 118.53 7.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 107.995 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -109.77 97.34 6.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.52 133.8 40.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 29.3 mt -133.73 -161.17 1.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.3 110.83 3.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.4 t 47.78 68.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 129.0 -131.21 6.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 137.45 165.25 10.34 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.3 t -87.91 123.51 40.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.927 HD12 ' CE3' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -109.65 141.46 42.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.465 ' O ' HG13 ' A' ' 40' ' ' VAL . 30.5 m -111.19 128.21 55.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.418 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.883 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 11.2 m-85 -102.23 132.12 48.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.429 ' CD ' ' HG2' ' A' ' 39' ' ' PRO . 22.8 ttt180 -40.09 -61.8 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -105.39 161.61 22.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.691 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.5 Cg_endo -74.94 -47.06 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.507 1.793 . . . . 0.0 111.05 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.65 -44.49 96.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.636 ' O ' HG23 ' A' ' 63' ' ' VAL . 46.4 m-20 -55.46 -39.8 70.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.883 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -70.03 -43.44 71.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -61.53 -51.36 68.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.49 -24.06 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.637 HG21 ' CE2' ' A' ' 54' ' ' PHE . 57.0 t -86.45 -43.35 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.492 ' HA ' HD23 ' A' ' 64' ' ' LEU . 11.1 mt -60.33 -41.29 93.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.39 -32.43 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.255 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.434 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 0.4 OUTLIER -90.44 113.31 25.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.9 1.38 20.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -124.69 144.59 50.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.75 ' CD2' HD23 ' A' ' 78' ' ' LEU . 88.3 m-70 -149.89 111.47 4.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.553 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.92 130.17 42.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.957 ' HB3' HD21 ' A' ' 76' ' ' LEU . 22.3 tp -151.7 95.6 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.49 ' CD2' HD13 ' A' ' 24' ' ' LEU . 1.4 m-70 53.48 64.89 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.619 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.582 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 48.98 86.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 171.03 141.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -103.54 93.81 5.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.957 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -72.01 127.43 32.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.7 m -90.31 98.59 11.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 1.087 HD13 HG22 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -86.34 141.73 29.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.51 ' O ' HG13 ' A' ' 11' ' ' VAL . 20.2 mtm180 -152.86 158.77 32.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.88 3.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.474 ' HB2' ' N ' ' A' ' 12' ' ' GLU . . . -67.03 163.16 47.26 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.455 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.51 1.795 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.681 HG21 ' CA ' ' A' ' 57' ' ' PRO . 32.9 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -127.9 138.53 52.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 79' ' ' ARG . 95.2 t -121.9 121.01 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.512 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 9.4 tm-20 -74.08 114.24 12.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.01 HG22 HD13 ' A' ' 78' ' ' LEU . 82.9 t -93.78 134.76 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 77' ' ' SER . 1.0 OUTLIER -134.69 146.12 49.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.48 60.38 3.03 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.118 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.646 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -129.48 125.99 22.64 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.287 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.646 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.01 152.13 40.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -38.1 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.474 1.776 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.46 -38.74 6.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.9 t -77.74 121.03 83.63 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.435 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.4 Cg_endo -75.01 157.72 42.57 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.534 1.807 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.577 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -60.18 -35.73 76.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.47 ' HG2' HD23 ' A' ' 24' ' ' LEU . 10.3 tt0 -43.6 -55.14 4.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.723 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -63.07 -48.56 78.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.664 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -40.06 -47.02 2.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 22' ' ' ASP . 25.7 p -79.42 -53.55 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.784 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -39.82 -31.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.432 ' N ' ' C ' ' A' ' 26' ' ' THR . 27.2 t80 -81.55 -61.69 1.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.655 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 22.9 m-85 -55.59 -43.92 76.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -59.67 -44.1 93.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.72 135.09 54.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -75.18 -62.95 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -42.23 -51.06 4.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -50.08 -68.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.254 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 p -109.06 -68.99 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.31 79.24 0.81 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.46 ' HA3' ' CG2' ' A' ' 63' ' ' VAL . . . -143.05 -85.19 0.08 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 165.81 -157.28 29.68 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.446 ' HG2' ' CD ' ' A' ' 55' ' ' ARG . 18.2 Cg_endo -75.02 141.73 26.93 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 53' ' ' THR . 42.2 t -96.78 120.64 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -56.82 17.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.33 179.34 8.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.707 ' CE3' HD12 ' A' ' 52' ' ' LEU . 13.4 t-105 -149.77 141.95 24.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.024 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -134.96 97.28 3.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.515 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 28.1 ttp85 -74.57 122.8 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.9 mt -110.79 -171.57 1.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -37.74 -90.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 m -104.67 69.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 134.23 -122.98 3.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.567 1.167 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 140.25 162.91 9.3 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.6 t -92.33 127.29 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.707 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.7 tt -109.91 147.63 33.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.6 ' O ' HG13 ' A' ' 40' ' ' VAL . 60.7 m -115.65 133.07 56.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.379 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.803 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 16.1 m-85 -107.78 127.12 53.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.446 ' CD ' ' HG2' ' A' ' 39' ' ' PRO . 31.5 ttt-85 -38.2 -60.84 0.73 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.23 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -103.62 160.67 25.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.681 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.1 Cg_endo -75.05 -46.63 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.07 99.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.652 ' O ' HG23 ' A' ' 63' ' ' VAL . 81.8 m-20 -55.68 -40.46 72.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.803 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -68.73 -50.46 50.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -56.44 -48.13 77.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.288 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -48.18 -24.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 59' ' ' ASP . 21.5 t -90.04 -46.7 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.493 ' HA ' HD23 ' A' ' 64' ' ' LEU . 10.8 mt -56.6 -40.59 75.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.14 -30.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 64' ' ' LEU . 2.6 tt0 -89.35 114.37 25.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.88 2.46 20.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -126.92 147.69 50.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.661 ' CD2' HD23 ' A' ' 78' ' ' LEU . 65.3 m-70 -150.92 129.42 12.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.643 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -119.51 126.82 52.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.664 ' CD2' HD12 ' A' ' 25' ' ' LEU . 18.4 tp -147.44 95.62 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 60.9 63.26 1.31 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 109.621 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 46.92 82.52 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 175.83 131.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 109.264 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -88.85 97.86 11.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.631 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -79.31 127.49 32.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' ARG . 5.9 m -92.92 99.7 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 1.01 HD13 HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -86.41 140.44 30.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.505 ' O ' HG13 ' A' ' 11' ' ' VAL . 70.9 mtt180 -152.52 158.93 33.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 113.79 3.87 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.677 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -66.84 170.67 5.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.677 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.534 1.807 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.617 HG11 ' HA ' ' A' ' 57' ' ' PRO . 3.4 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -136.74 142.53 43.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.7 t -126.8 121.21 57.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -73.86 109.86 7.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.955 HG22 HD13 ' A' ' 78' ' ' LEU . 74.3 t -90.64 130.39 39.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.0 146.12 52.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.76 65.0 2.22 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.605 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -133.62 124.62 18.04 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.467 0.745 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.605 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.2 Cg_endo -75.02 149.64 36.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.522 1.801 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.1 Cg_endo -75.02 -37.17 2.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.18 -30.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.8 t -87.61 122.41 70.5 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.462 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.2 Cg_endo -75.04 159.67 40.94 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.556 1.819 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.608 ' O ' HG23 ' A' ' 26' ' ' THR . 60.0 m-20 -62.11 -34.8 77.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.588 ' HG2' HD23 ' A' ' 24' ' ' LEU . 8.2 tt0 -44.57 -51.85 8.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.707 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -67.8 -48.19 66.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.758 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -39.45 -44.52 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 22' ' ' ASP . 20.3 p -80.85 -53.62 6.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.453 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.782 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -39.87 -31.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.428 ' N ' ' C ' ' A' ' 26' ' ' THR . 31.2 t80 -82.1 -60.24 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.562 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 19.5 m-85 -58.82 -52.68 64.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -45.89 -53.06 10.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -62.04 146.82 49.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -88.19 -49.33 7.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -50.26 59.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -54.7 -63.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.9 p -104.1 -70.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 117.61 84.01 0.98 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.43 ' HA3' ' CG2' ' A' ' 63' ' ' VAL . . . -161.45 -83.85 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.91 -156.92 26.64 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 160.42 40.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.792 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 53' ' ' THR . 44.3 t -109.45 127.54 66.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -67.44 -52.29 41.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.5 t -154.85 177.57 11.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.974 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.723 ' CE3' HD12 ' A' ' 52' ' ' LEU . 12.2 t-105 -150.99 136.17 17.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 107.975 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.467 ' HG2' HD21 ' A' ' 46' ' ' LEU . 6.2 tt0 -130.77 112.94 13.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.499 ' C ' HD22 ' A' ' 46' ' ' LEU . 4.5 ttp85 -89.71 113.42 24.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.499 HD22 ' C ' ' A' ' 45' ' ' ARG . 3.3 mm? -109.52 45.25 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.12 133.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.452 1.095 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.7 m 43.17 53.4 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 120.81 -147.64 17.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.149 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 145.01 175.87 18.53 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.5 t -96.27 125.35 49.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.532 0.784 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.723 HD12 ' CE3' ' A' ' 43' ' ' TRP . 2.1 tt -109.54 149.17 30.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 9' ' ' VAL . 7.3 m -119.07 125.6 49.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.856 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 19.0 m-85 -100.69 134.62 43.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.437 ' HA ' HD12 ' A' ' 41' ' ' LEU . 32.7 ttt180 -41.7 -63.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -104.5 161.16 23.67 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.617 ' HA ' HG11 ' A' ' 9' ' ' VAL . 18.4 Cg_endo -75.03 -46.84 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.63 -45.72 92.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.662 ' O ' HG23 ' A' ' 63' ' ' VAL . 61.6 m-20 -57.77 -33.93 69.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.856 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -76.66 -45.88 27.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -63.86 -37.55 87.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -19.11 41.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.3 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 59' ' ' ASP . 25.7 t -94.46 -43.62 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.491 ' HA ' HD23 ' A' ' 64' ' ' LEU . 8.8 mt -57.15 -41.09 78.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.99 -29.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.45 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 3.1 tt0 -90.28 113.84 25.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.29 1.99 19.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.586 ' O ' ' CD2' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -123.67 153.81 40.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.674 ' CD2' HD23 ' A' ' 78' ' ' LEU . 65.2 m-70 -157.96 127.47 5.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.607 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -115.76 123.92 49.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.758 ' CD2' HD12 ' A' ' 25' ' ' LEU . 20.0 tp -144.85 97.17 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.532 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER 61.61 54.39 3.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.649 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 54.19 74.91 0.26 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.108 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.82 132.02 0.43 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 0.75 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -89.84 95.57 10.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.707 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -77.02 136.08 38.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.1 m -98.34 96.58 8.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.955 HD13 HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -86.78 135.43 33.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -152.76 162.72 25.68 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.257 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.51 6.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.681 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -67.06 170.81 5.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.681 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.601 HG21 ' CA ' ' A' ' 57' ' ' PRO . 21.3 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -136.69 147.53 46.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.542 HG13 ' O ' ' A' ' 79' ' ' ARG . 98.8 t -130.5 120.27 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -73.93 116.88 15.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.949 HG22 HD13 ' A' ' 78' ' ' LEU . 78.3 t -97.95 137.74 24.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.59 145.29 51.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.38 67.66 1.85 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.59 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -132.04 123.53 18.99 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.59 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.97 144.3 30.2 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -75.05 -23.18 13.97 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.91 -20.38 8.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.1 t -98.98 124.21 46.34 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 178.36 7.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.523 1.801 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.479 ' O ' HG23 ' A' ' 26' ' ' THR . 0.3 OUTLIER -75.35 -43.14 52.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.484 ' HG2' HD23 ' A' ' 24' ' ' LEU . 7.6 tt0 -37.79 -54.11 1.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.795 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -67.33 -53.77 26.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.767 HD22 ' CE2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -38.79 -38.5 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 22' ' ' ASP . 68.3 p -86.11 -50.17 7.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.771 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -42.99 -29.46 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.437 ' CB ' HD13 ' A' ' 71' ' ' LEU . 5.8 t80 -82.9 -63.09 1.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 23.0 m-85 -59.42 -13.84 10.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 26' ' ' THR . 19.8 mt-10 -89.64 -43.03 11.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.78 135.15 57.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.7 ptt-85 -86.27 -26.6 24.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.355 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -78.2 -42.0 32.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.34 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -64.27 -49.92 69.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.3 p -113.48 -76.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.023 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.26 49.07 0.2 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.45 -109.45 2.11 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.96 -155.14 9.16 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 151.42 39.52 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 53' ' ' THR . 11.4 t -104.35 119.71 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -53.49 57.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 43' ' ' TRP . 7.7 t -155.41 178.58 10.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.946 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.767 ' CE2' HD22 ' A' ' 25' ' ' LEU . 9.3 t-105 -151.08 141.07 22.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.027 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -136.11 97.46 3.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.368 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.5 ' HB2' ' CZ2' ' A' ' 43' ' ' TRP . 17.4 ttm-85 -77.64 121.72 24.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 45' ' ' ARG . 20.8 mt -117.92 118.24 31.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.68 -88.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 46' ' ' LEU . 5.4 p -113.46 -49.63 2.89 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.54 -122.58 0.87 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.96 151.31 7.01 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -87.51 126.83 41.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.726 HD12 ' CE3' ' A' ' 43' ' ' TRP . 2.5 tt -109.46 149.0 30.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.42 ' O ' HG13 ' A' ' 40' ' ' VAL . 10.4 m -118.27 132.2 56.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.4 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.672 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 17.4 m-85 -108.4 131.13 55.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.0 ttt-85 -40.3 -62.3 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.262 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -104.55 162.01 21.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.601 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.1 Cg_endo -75.06 -47.25 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.65 -41.81 98.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.558 ' O ' HG23 ' A' ' 63' ' ' VAL . 50.0 m-20 -59.44 -24.95 63.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.672 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -83.91 -50.6 7.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -57.28 -35.38 69.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -20.05 63.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.302 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.626 HG21 ' CE2' ' A' ' 54' ' ' PHE . 19.9 t -94.0 -42.8 13.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 64' ' ' LEU . 9.7 mt -61.94 -40.07 94.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.53 -30.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' LEU . 10.6 tt0 -92.79 112.28 24.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.09 0.99 19.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.417 ' O ' ' CD2' ' A' ' 69' ' ' HIS . 10.5 t70 -118.83 145.19 45.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.739 ' CD2' HD23 ' A' ' 78' ' ' LEU . 92.1 m-70 -156.88 122.27 4.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.613 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -121.71 120.13 33.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.653 ' HB3' HD21 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -144.37 101.34 3.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.533 ' CD2' ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER 69.54 62.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.573 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.569 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 39.74 85.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 171.53 126.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.748 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -84.45 92.81 8.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.684 ' N ' HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -71.08 147.42 48.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 m -109.27 99.42 8.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.016 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.949 HD13 HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -86.66 138.6 31.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.542 ' O ' HG13 ' A' ' 11' ' ' VAL . 58.2 mtt-85 -152.49 158.15 33.44 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 119.5 5.66 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.496 1.787 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.625 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -67.25 168.63 10.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.625 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.504 1.792 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.591 HG21 ' CA ' ' A' ' 57' ' ' PRO . 9.4 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.47 144.4 44.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.244 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.549 HG13 HD21 ' A' ' 64' ' ' LEU . 85.2 t -130.41 128.97 64.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -86.51 107.52 18.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.012 HG22 HD13 ' A' ' 78' ' ' LEU . 65.5 t -88.51 149.53 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.411 ' HB2' ' CB ' ' A' ' 77' ' ' SER . 13.7 mmt180 -132.45 169.94 15.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 49.97 69.63 1.01 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.77 HD13 HD13 ' A' ' 25' ' ' LEU . 12.6 tp -124.73 114.37 26.88 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.604 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.99 154.67 42.72 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -37.33 2.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.78 -44.59 19.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.6 t -78.07 120.8 82.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.092 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.456 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.3 Cg_endo -75.0 156.11 42.96 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.502 1.79 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.573 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 0.1 OUTLIER -59.42 -33.41 71.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -45.73 -54.39 7.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.713 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -64.21 -52.08 60.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.849 HD12 HD22 ' A' ' 71' ' ' LEU . 3.0 tp -39.85 -44.2 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 30' ' ' GLU . 16.4 p -80.18 -43.76 20.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.765 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -52.46 -36.64 55.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.561 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 32.4 t80 -73.61 -53.62 10.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.664 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 13.4 m-85 -62.93 -26.29 68.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 26' ' ' THR . 12.8 mt-10 -77.59 -44.73 27.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.425 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -65.39 146.24 55.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -80.51 -62.2 1.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.348 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.54 -50.33 7.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.561 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 9.4 mmm180 -48.32 -67.36 0.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 110.276 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.85 -73.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.993 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 119.24 75.53 0.47 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.54 -83.35 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 172.03 -160.08 31.54 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.415 ' HG2' ' CD ' ' A' ' 55' ' ' ARG . 18.4 Cg_endo -74.97 158.4 42.34 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.712 ' CG2' HD21 ' A' ' 52' ' ' LEU . 24.7 t -106.74 125.9 62.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -70.49 -50.74 34.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.9 t -148.61 177.89 9.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.688 ' CE3' HD12 ' A' ' 52' ' ' LEU . 16.4 t-105 -151.04 137.94 19.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 107.984 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -134.53 102.07 5.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.5 ' HD2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -75.21 117.53 17.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 45' ' ' ARG . 25.7 mt -115.31 -170.41 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.78 109.56 2.61 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.5 t 49.76 71.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 136.97 -127.85 4.19 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.35 149.32 6.08 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.4 t -86.52 124.47 40.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 0.774 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.712 HD21 ' CG2' ' A' ' 40' ' ' VAL . 1.5 tt -109.78 142.98 40.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 9' ' ' VAL . 86.5 m -108.14 120.36 42.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.995 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 13.9 m-85 -93.8 128.12 39.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.439 ' HA ' HD12 ' A' ' 41' ' ' LEU . 31.3 ttt180 -38.38 -60.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -106.77 161.91 21.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.591 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.3 Cg_endo -75.01 -47.29 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.53 96.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.461 ' O ' HG23 ' A' ' 63' ' ' VAL . 40.0 m-20 -56.67 -36.49 69.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.995 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -77.31 -49.2 15.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -48.97 -51.03 32.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.7 ttt85 -46.15 -48.26 17.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.811 HG21 ' CE2' ' A' ' 54' ' ' PHE . 23.5 t -60.17 -39.3 80.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.549 HD21 HG13 ' A' ' 11' ' ' VAL . 16.0 mt -65.87 -46.01 79.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.84 -30.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.441 ' N ' ' C ' ' A' ' 64' ' ' LEU . 1.9 tt0 -99.56 110.29 22.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.37 1.88 20.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.588 ' O ' ' CD2' ' A' ' 69' ' ' HIS . 11.2 t70 -118.77 140.85 49.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.725 ' CD2' HD23 ' A' ' 78' ' ' LEU . 92.1 m-70 -161.77 135.17 6.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 109.596 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 71' ' ' LEU . 1.8 tt0 -129.57 139.34 51.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.849 HD22 HD12 ' A' ' 25' ' ' LEU . 3.8 tp -147.74 104.76 3.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 51.43 70.81 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.602 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.582 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 46.09 88.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 171.2 143.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -102.73 96.52 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.712 ' H ' HD22 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -78.27 137.55 38.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.411 ' CB ' ' HB2' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -108.76 107.17 17.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.001 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 1.012 HD13 HG22 ' A' ' 13' ' ' VAL . 1.5 mm? -88.19 134.11 33.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -152.64 162.98 24.98 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 118.02 5.11 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.531 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -66.99 165.43 26.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.531 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.121 0 O-C-N 124.556 1.819 . . . . 0.0 111.041 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.523 HG21 ' CA ' ' A' ' 57' ' ' PRO . 4.2 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -136.67 145.29 44.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 84.8 t -128.91 120.11 51.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.476 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 67.0 tt0 -74.43 108.77 7.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.951 HG22 HD13 ' A' ' 78' ' ' LEU . 98.6 t -89.73 132.5 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 77' ' ' SER . 1.0 OUTLIER -131.9 146.99 52.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.414 ' N ' ' HG3' ' A' ' 14' ' ' ARG . . . 73.95 69.99 1.31 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.678 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.6 OUTLIER -134.59 126.1 17.93 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.678 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.5 Cg_endo -74.96 151.59 39.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.565 1.824 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -75.03 -43.53 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.461 1.769 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.26 -30.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.404 HG11 ' HG ' ' A' ' 71' ' ' LEU . 31.4 t -88.16 122.19 70.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.477 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.2 Cg_endo -75.01 -178.3 4.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' GLU . 28.7 m-20 -78.53 -46.32 19.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 22' ' ' ASP . 1.0 OUTLIER -35.16 -49.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.765 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -68.32 -52.8 29.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.726 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -39.87 -39.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.5 p -84.45 -50.8 7.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.379 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.781 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -41.85 -39.32 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.492 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -72.17 -69.66 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.594 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 17.9 m-85 -47.28 -42.13 20.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -67.65 -44.29 78.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -59.68 134.47 57.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.6 1.188 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -80.23 -48.36 13.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -35.45 15.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -96.2 -30.35 13.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -151.61 86.87 1.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.77 64.89 0.31 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -117.08 -66.83 0.37 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.81 -164.46 34.18 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 178.03 7.81 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.6 t -122.02 120.9 62.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.438 ' CD1' ' HA ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -64.69 -48.16 75.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.6 t -158.55 174.85 14.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.981 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.675 ' CE3' HD12 ' A' ' 52' ' ' LEU . 10.8 t-105 -147.41 135.23 21.16 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -128.51 111.74 13.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.53 ' C ' HD22 ' A' ' 46' ' ' LEU . 1.1 ttp85 -91.18 113.39 25.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.53 HD22 ' C ' ' A' ' 45' ' ' ARG . 2.9 mm? -109.78 42.56 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.82 132.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.5 m 43.22 55.25 4.73 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.65 -142.81 14.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 137.63 177.56 15.25 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.2 t -100.83 128.28 53.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.792 . . . . 0.0 109.252 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.675 HD12 ' CE3' ' A' ' 43' ' ' TRP . 2.0 tt -110.92 150.53 29.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.5 m -118.68 126.45 51.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.417 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.736 ' CE2' HG21 ' A' ' 63' ' ' VAL . 16.7 m-85 -100.53 136.51 40.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.438 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 32.7 ttt180 -45.34 -60.11 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -107.9 161.17 24.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.523 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.4 Cg_endo -74.98 -46.71 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.556 1.819 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.84 97.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.469 ' O ' HG23 ' A' ' 63' ' ' VAL . 92.2 m-20 -60.65 -23.55 64.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.684 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -85.89 -37.65 18.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.22 -38.48 88.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.401 ' NE ' ' HA ' ' A' ' 62' ' ' ARG . 0.6 OUTLIER -59.32 -18.0 34.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 110.331 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.736 HG21 ' CE2' ' A' ' 54' ' ' PHE . 16.4 t -93.0 -49.3 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.44 ' C ' ' N ' ' A' ' 66' ' ' GLN . 10.5 mt -57.53 -39.63 77.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.56 -30.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.459 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 5.0 tt0 -91.56 115.85 28.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.6 3.46 21.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -129.92 150.16 51.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.242 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.734 ' CD2' HD23 ' A' ' 78' ' ' LEU . 53.0 m-70 -153.06 140.21 19.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.568 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -128.08 123.52 34.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.726 ' CD2' HD12 ' A' ' 25' ' ' LEU . 18.7 tp -144.05 106.33 4.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.236 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.545 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER 54.71 60.53 3.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.614 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.636 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 47.69 90.54 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 167.02 143.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.408 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 1.8 pt20 -95.09 107.67 19.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.725 ' H ' HD22 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -90.36 122.07 32.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 14' ' ' ARG . 7.3 m -90.1 101.93 14.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.951 HD13 HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -86.69 137.26 32.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 12' ' ' GLU . 16.2 mmt85 -148.24 158.83 40.77 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 112.82 3.65 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.675 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -66.58 170.57 5.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.675 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.576 HG11 ' HA ' ' A' ' 57' ' ' PRO . 2.2 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -135.46 145.58 47.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.0 t -131.07 129.94 63.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 40.9 tt0 -87.74 106.4 18.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.992 HG22 HD13 ' A' ' 78' ' ' LEU . 78.8 t -91.56 145.83 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.552 ' HG2' ' CB ' ' A' ' 77' ' ' SER . 1.4 ptm180 -134.82 154.6 51.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.352 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.52 ' O ' HD13 ' A' ' 76' ' ' LEU . . . 59.13 72.31 0.63 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.612 HD22 HD11 ' A' ' 25' ' ' LEU . 3.6 tp -129.39 116.6 18.61 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.529 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.4 Cg_endo -75.03 151.2 39.09 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -75.06 -37.65 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.797 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.32 -34.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.2 t -84.3 120.76 74.9 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.408 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.4 Cg_endo -74.99 149.24 36.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.472 1.775 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -53.01 -34.37 56.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -45.01 -54.83 6.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.665 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -65.21 -51.36 61.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.612 HD11 HD22 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -40.07 -41.03 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.9 p -84.08 -47.32 11.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.365 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.773 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.41 -36.17 21.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.461 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 28.5 t80 -75.08 -58.38 3.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.643 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 10.2 m-85 -57.49 -29.94 64.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -75.58 -38.04 59.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.436 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -65.28 146.26 55.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.46 -53.52 5.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 33' ' ' ARG . 12.3 mtp-105 -56.44 -45.72 80.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.249 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 2.5 mmp_? -51.19 -63.37 1.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 p -118.02 -64.87 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.21 54.01 0.14 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.3 -149.46 7.97 Favored Glycine 0 CA--C 1.529 0.933 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.66 -147.75 4.92 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.96 6.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 53' ' ' THR . 58.5 t -81.71 139.42 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.477 HD23 ' HG3' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -79.33 -56.6 4.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.69 179.22 8.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.758 ' CE3' HD12 ' A' ' 52' ' ' LEU . 10.3 t-105 -149.5 133.82 17.4 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.22 97.43 5.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.538 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 5.1 ttp85 -76.31 124.75 28.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.2 mt -121.73 -168.94 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.246 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.97 111.63 4.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.437 1.086 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t 47.79 60.79 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 147.01 -136.73 6.28 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 132.87 153.04 7.11 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 20.6 t -90.37 130.53 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.758 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.5 tt -110.88 154.27 24.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.563 ' O ' HG13 ' A' ' 40' ' ' VAL . 26.9 m -117.35 123.14 45.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.401 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.562 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 13.1 m-85 -102.95 108.8 20.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.477 ' HG3' HD23 ' A' ' 41' ' ' LEU . 61.4 ttt180 -38.51 -42.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 0.8 OUTLIER -115.24 130.58 24.14 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.576 ' HA ' HG11 ' A' ' 9' ' ' VAL . 18.5 Cg_endo -74.94 -34.5 3.85 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.23 98.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.757 ' O ' HG23 ' A' ' 63' ' ' VAL . 11.2 m-20 -72.3 -34.48 68.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.562 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -64.34 -43.39 94.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -52.5 -52.72 53.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.73 -25.66 19.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 59' ' ' ASP . 17.4 t -82.74 -39.9 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 64' ' ' LEU . 12.1 mt -70.84 -40.86 72.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -38.7 -33.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.423 ' N ' ' C ' ' A' ' 64' ' ' LEU . 4.4 tt0 -98.12 111.89 24.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.81 0.31 21.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.588 ' O ' ' CD2' ' A' ' 69' ' ' HIS . 2.8 t70 -121.34 141.89 50.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.702 ' CD2' HD23 ' A' ' 78' ' ' LEU . 79.5 m-70 -157.86 129.68 6.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.623 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.94 132.34 56.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.576 ' CD2' HD12 ' A' ' 25' ' ' LEU . 4.6 tp -148.49 103.76 3.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.468 ' NE2' HD13 ' A' ' 24' ' ' LEU . 0.8 OUTLIER 60.76 71.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.6 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 38.65 85.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 174.23 146.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -100.47 97.95 8.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.705 ' N ' HD22 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -88.92 124.73 34.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.552 ' CB ' ' HG2' ' A' ' 14' ' ' ARG . 0.5 OUTLIER -99.79 107.08 19.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.992 HD13 HG22 ' A' ' 13' ' ' VAL . 1.9 mm? -86.57 132.43 33.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 12' ' ' GLU . 4.0 mmp_? -147.75 159.49 40.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 114.9 4.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.627 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -67.08 168.91 9.54 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.627 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.532 1.806 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 p -124.69 151.93 44.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.76 . . . . 0.0 109.992 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 p -165.75 122.32 1.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.962 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.49 -159.67 16.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.7 m -82.98 149.09 27.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 0.0 110.01 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.1 155.13 36.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.962 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' H ' ' HB2' ' A' ' 85' ' ' ALA . . . -49.53 155.1 2.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.69 -123.81 3.09 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.666 HG21 ' HA ' ' A' ' 57' ' ' PRO . 28.6 t -117.34 121.63 68.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.56 144.2 51.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 79' ' ' ARG . 60.6 t -127.67 125.67 65.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.457 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 6.3 tm-20 -74.31 121.26 21.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.976 HG22 HD13 ' A' ' 78' ' ' LEU . 81.9 t -101.95 133.54 45.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.21 146.91 51.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.48 ' O ' HD13 ' A' ' 76' ' ' LEU . . . 70.78 69.42 1.39 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.695 HD13 ' CD1' ' A' ' 25' ' ' LEU . 1.2 tp -133.36 121.74 16.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.553 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.2 Cg_endo -74.95 147.69 34.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.99 -26.74 10.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.477 1.777 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.38 -20.12 11.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.242 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.403 HG22 ' HB3' ' A' ' 72' ' ' HIS . 20.8 t -100.4 123.14 47.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 155.35 42.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.502 1.79 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.584 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -58.36 -36.3 73.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.514 ' HG2' HD23 ' A' ' 24' ' ' LEU . 12.9 tt0 -42.97 -54.13 4.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.733 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -65.69 -47.49 75.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.751 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -42.12 -46.65 4.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.7 p -77.09 -49.47 15.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.389 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.789 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -45.25 -45.2 11.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.511 ' CB ' HD13 ' A' ' 71' ' ' LEU . 6.0 t80 -62.4 -62.61 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.589 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 23.3 m-85 -54.32 -40.81 68.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.422 ' OE2' ' HA ' ' A' ' 39' ' ' PRO . 6.5 mt-10 -65.22 -29.31 70.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.68 120.53 16.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.12 -14.86 58.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 mtt180 -82.97 -42.53 17.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.47 -40.63 57.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.03 -74.86 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.042 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.09 39.54 0.48 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.44 ' CA ' ' OD1' ' A' ' 59' ' ' ASP . . . -106.77 -120.71 4.65 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.28 -145.24 4.48 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.422 ' HA ' ' OE2' ' A' ' 30' ' ' GLU . 18.3 Cg_endo -74.97 143.13 28.79 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.784 HG13 ' O ' ' A' ' 53' ' ' THR . 75.8 t -102.51 130.65 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -64.45 -58.51 6.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.253 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.4 t -153.67 178.6 9.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.83 ' CE3' HD12 ' A' ' 52' ' ' LEU . 7.7 t-105 -150.55 136.6 18.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 107.987 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -125.49 97.69 5.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.561 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 38.9 ttp85 -75.71 128.22 34.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.9 mt -116.66 -169.28 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.59 -92.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.5 m -101.66 62.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 142.27 -129.94 4.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.57 157.86 7.31 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 20.2 t -86.97 127.62 40.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.83 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.6 tt -109.91 150.58 28.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.784 ' O ' HG13 ' A' ' 40' ' ' VAL . 84.9 m -119.75 130.13 54.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.381 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.772 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 10.7 m-85 -103.91 121.29 42.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.478 ' HA ' HD12 ' A' ' 41' ' ' LEU . 5.6 ttt85 -38.6 -56.85 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -98.22 150.68 36.98 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.078 . . . . 0.0 110.283 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.666 ' HA ' HG21 ' A' ' 9' ' ' VAL . 18.4 Cg_endo -75.05 -51.0 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.786 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.2 -48.19 81.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.485 ' O ' HG23 ' A' ' 63' ' ' VAL . 1.0 OUTLIER -53.79 -44.82 70.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.772 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -57.14 -37.87 72.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -75.65 -35.56 60.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -25.4 36.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.67 HG21 ' CE2' ' A' ' 54' ' ' PHE . 18.2 t -87.76 -51.05 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.493 HD23 ' HA ' ' A' ' 64' ' ' LEU . 11.3 mt -52.44 -37.78 57.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.32 -40.15 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.596 ' O ' ' CE1' ' A' ' 69' ' ' HIS . 2.3 tt0 -83.64 120.33 25.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.18 4.15 21.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -124.7 139.13 54.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.602 ' CD2' HD23 ' A' ' 78' ' ' LEU . 20.5 m-70 -148.26 124.78 11.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.62 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.55 134.61 52.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.751 ' CD2' HD12 ' A' ' 25' ' ' LEU . 1.7 tp -152.94 109.21 3.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.501 ' NE2' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER 57.06 68.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.592 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.551 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 37.85 87.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 172.55 149.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 0.793 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -101.15 106.46 17.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.745 ' N ' HD22 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -93.58 125.78 38.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.3 m -97.61 100.16 11.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.976 HD13 HG22 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -86.64 145.3 26.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.526 ' O ' HG13 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -152.86 163.23 24.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 115.17 4.21 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.457 ' HB2' ' N ' ' A' ' 12' ' ' GLU . . . -67.42 153.84 94.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 167.95 25.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.0 40.17 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.0 ttm-85 177.82 124.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.403 ' HB2' ' H ' ' A' ' 7' ' ' GLY . . . -149.11 154.94 39.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.504 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 18.2 Cg_endo -75.01 132.46 15.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 86' ' ' PRO . . . 175.47 124.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -129.16 69.35 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.22 172.62 12.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.473 ' O ' HD23 ' A' ' 90' ' ' LEU . 7.2 tt -155.66 78.64 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.402 ' N ' HD23 ' A' ' 91' ' ' LEU . 1.2 mt -94.6 107.28 19.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.54 115.42 15.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 121.96 173.9 14.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.54 159.05 52.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 167.12 27.71 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -176.91 3.12 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 156.79 101.07 0.18 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 39.4 p -135.58 175.14 9.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 0.0 110.377 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.52 165.01 5.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -169.85 159.94 32.77 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.569 1.168 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 179.47 6.06 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.3 m -118.58 170.12 9.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.8 t -146.25 168.56 20.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -136.78 110.02 7.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.8 p -118.72 128.83 54.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.62 -167.43 25.56 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.1 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t 56.2 81.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -136.49 99.61 4.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.64 123.99 0.56 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.72 142.39 0.81 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.706 HG11 ' HA ' ' A' ' 57' ' ' PRO . 2.3 t -134.58 136.37 52.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 0.757 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.22 150.63 49.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.423 HG13 HD21 ' A' ' 64' ' ' LEU . 94.5 t -141.31 118.24 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER -73.6 113.37 10.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.993 HG22 HD13 ' A' ' 78' ' ' LEU . 81.8 t -95.47 133.5 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 77' ' ' SER . 0.3 OUTLIER -133.78 147.02 51.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.95 67.4 1.74 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.765 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.8 OUTLIER -134.1 127.64 19.18 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.765 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.03 150.3 37.82 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.439 1.757 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -43.31 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.53 -39.13 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.472 HG13 HD12 ' A' ' 24' ' ' LEU . 61.8 t -77.21 124.41 87.12 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.499 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.1 Cg_endo -75.03 -177.99 3.86 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 23' ' ' GLU . 4.2 p-10 -80.48 -42.93 21.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 22' ' ' ASP . 1.3 pm0 -37.46 -50.06 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.689 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -67.09 -52.77 37.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.799 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -39.68 -37.68 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.0 p -87.06 -49.12 7.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.363 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.772 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -45.93 -30.41 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.411 ' CB ' HD13 ' A' ' 71' ' ' LEU . 43.2 t80 -83.08 -64.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.655 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 12.2 m-85 -51.81 -38.03 54.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -66.62 -46.32 76.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.34 138.09 56.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -88.02 -35.4 17.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.26 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.3 mtm-85 -70.61 -42.9 70.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -63.5 -43.41 97.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.478 ' OG ' HG13 ' A' ' 63' ' ' VAL . 1.2 t -124.44 -78.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.77 50.91 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.34 -149.17 7.11 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.24 -154.05 7.54 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 131.82 14.72 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.427 ' CG1' HD21 ' A' ' 52' ' ' LEU . 37.8 t -83.57 126.74 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.405 HD23 ' HG3' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -64.46 -56.0 17.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.85 179.61 8.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.976 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.65 ' CE3' HD12 ' A' ' 52' ' ' LEU . 10.1 t-105 -147.19 128.89 15.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 108.044 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -120.46 100.59 7.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ttp85 -83.69 113.47 20.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 30.2 mt -88.02 -97.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -116.36 -90.77 1.61 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 63.0 m -91.08 44.59 1.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 151.71 -111.87 0.51 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.55 170.88 12.79 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.5 t -97.22 129.58 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.65 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.8 tt -109.68 153.37 24.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 9' ' ' VAL . 55.9 m -117.42 123.18 45.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.631 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 16.3 m-85 -101.84 113.15 26.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' HG3' HD23 ' A' ' 41' ' ' LEU . 54.2 ttt-85 -38.82 -49.98 1.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 0.9 OUTLIER -108.07 132.01 21.35 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.706 ' HA ' HG11 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.08 -34.57 3.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.565 1.824 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.58 -44.75 96.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.898 ' O ' HG23 ' A' ' 63' ' ' VAL . 1.4 m-20 -70.66 -34.98 72.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.631 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -63.81 -36.29 83.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -65.88 -51.77 55.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -22.98 5.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.252 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 59' ' ' ASP . 19.5 t -85.74 -44.63 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' A' ' 64' ' ' LEU . 11.6 mt -62.51 -42.18 99.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -38.99 -30.88 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.449 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 1.3 tt0 -93.02 114.53 27.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.86 2.2 20.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -121.5 142.49 50.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.747 ' CD2' HD23 ' A' ' 78' ' ' LEU . 64.5 m-70 -148.11 127.01 12.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.645 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.02 130.36 55.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.856 ' HB3' HD21 ' A' ' 76' ' ' LEU . 42.8 tp -150.24 95.66 2.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.532 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.6 OUTLIER 58.12 60.03 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.579 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.487 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 52.54 82.33 0.04 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.52 1.137 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 175.76 140.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 0.788 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -98.37 95.72 7.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.856 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -77.59 124.83 28.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' ARG . 7.0 m -89.22 101.83 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.993 HD13 HG22 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -86.71 141.32 28.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 12' ' ' GLU . 80.3 mtt180 -152.63 158.01 33.34 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 119.72 5.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.79 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.18 154.26 93.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 113.53 3.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.567 1.825 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 55.57 4.01 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 174.57 108.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -172.37 154.67 3.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 134.37 17.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.532 1.806 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -105.92 85.14 2.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -138.17 109.83 7.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.7 157.68 45.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 91' ' ' LEU . 5.5 mt -122.33 141.12 51.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -40.26 132.22 2.0 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -105.07 140.04 38.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 110.342 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 160.12 90.86 0.08 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -104.53 154.8 38.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 172.99 15.28 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.776 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.6 5.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.502 1.79 . . . . 0.0 111.054 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -91.91 157.43 24.33 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.434 1.084 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.8 m -118.27 144.36 45.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 110.366 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.7 m -39.44 144.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 167.71 97.49 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.113 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 169.23 23.08 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.428 1.752 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 t -119.75 164.91 15.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.133 . . . . 0.0 109.979 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.5 m -153.19 168.85 24.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 t -174.23 132.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.59 -57.96 1.95 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.17 -170.27 13.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 p -140.0 159.48 42.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.76 . . . . 0.0 110.034 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 t -166.99 129.14 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.72 137.97 17.5 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.475 1.109 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 66.81 -175.73 22.25 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.65 ' O ' HG23 ' A' ' 53' ' ' THR . 2.1 t -141.06 142.81 29.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.253 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -133.13 150.13 52.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.696 HG13 HD21 ' A' ' 64' ' ' LEU . 87.0 t -141.26 116.65 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.91 115.59 15.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.344 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.943 HG22 HD13 ' A' ' 78' ' ' LEU . 71.6 t -95.74 143.09 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.94 149.22 52.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.3 66.93 2.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.662 HD22 HD11 ' A' ' 25' ' ' LEU . 3.6 tp -128.21 117.4 20.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.542 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.1 Cg_endo -75.04 147.72 34.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -74.98 -37.15 2.16 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.462 1.77 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.37 -28.48 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' A' ' 18' ' ' PRO . 21.5 t -87.57 123.61 69.16 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 153.48 42.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -57.36 -32.76 67.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -46.09 -54.67 8.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.683 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -65.24 -49.6 69.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.674 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -40.05 -44.59 1.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.432 ' H ' ' HG1' ' A' ' 26' ' ' THR . 66.6 p -80.78 -51.75 8.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.463 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.781 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -43.06 -33.13 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -79.32 -67.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.492 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 13.6 m-85 -49.75 -30.97 10.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 111.044 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -71.83 -45.92 59.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.341 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -64.33 143.38 57.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -30.49 17.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -74.41 -32.24 62.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.348 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -74.14 -39.11 63.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.321 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.99 -66.45 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 110.037 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.86 52.11 0.21 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.75 -140.42 5.6 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.02 -151.67 5.53 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 133.44 16.57 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.53 1.805 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.45 ' CG1' HD21 ' A' ' 52' ' ' LEU . 45.5 t -90.13 128.19 42.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.402 HD23 ' HG3' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -67.54 -55.78 12.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.87 179.28 9.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.608 ' CE3' HD12 ' A' ' 52' ' ' LEU . 7.4 t-105 -145.47 111.04 5.4 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.453 ' HG2' HD21 ' A' ' 46' ' ' LEU . 1.4 tt0 -98.61 102.06 13.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.82 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -82.88 122.59 28.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.82 HD22 ' C ' ' A' ' 45' ' ' ARG . 3.3 mm? -126.41 91.69 3.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.02 -117.28 8.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.57 1.169 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.5 m -50.71 -79.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -102.92 -106.47 3.05 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.98 177.26 17.8 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.6 t -96.06 130.67 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.608 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.2 tt -109.36 153.49 23.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 9' ' ' VAL . 97.1 m -117.88 126.69 52.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.421 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.587 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 26.0 m-85 -106.83 113.73 27.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 54' ' ' PHE . 51.5 ttt180 -38.2 -54.55 1.38 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.97 130.32 23.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.569 ' CB ' HG21 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.01 -33.66 4.4 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.544 1.813 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.13 -46.62 89.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -40.09 77.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.587 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -57.35 -40.86 78.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -52.56 -51.59 58.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -32.98 50.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 38.7 t -74.95 -34.23 32.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.696 HD21 HG13 ' A' ' 11' ' ' VAL . 13.1 mt -75.36 -47.32 28.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -39.25 -31.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.429 ' N ' ' C ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -97.32 104.99 17.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.31 0.68 18.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -116.98 135.74 53.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.248 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.874 ' CD2' HD23 ' A' ' 78' ' ' LEU . 72.1 m-70 -151.15 144.05 24.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.567 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -128.21 130.3 47.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.674 ' CD2' HD12 ' A' ' 25' ' ' LEU . 13.8 tp -149.5 99.38 2.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.232 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.525 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.5 OUTLIER 59.49 68.59 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.621 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.572 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 40.89 87.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 171.58 146.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 0.794 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.47 ' C ' HD13 ' A' ' 76' ' ' LEU . 11.0 pt20 -99.42 107.88 20.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.738 ' H ' HD22 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -94.23 116.93 29.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.8 112.99 23.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.943 HD13 HG22 ' A' ' 13' ' ' VAL . 1.5 mm? -94.14 137.66 33.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -152.65 160.72 30.76 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 117.38 4.88 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.12 155.83 89.46 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 113.44 3.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 149.95 37.41 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.508 1.794 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 173.09 -58.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -178.12 150.3 0.73 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 155.84 42.96 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.441 1.758 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -101.08 135.52 42.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.578 1.174 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.15 148.94 24.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.4 108.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 91' ' ' LEU . 0.9 OUTLIER -133.03 122.24 23.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -40.29 154.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -133.74 99.79 4.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.84 134.41 12.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -88.08 160.99 45.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 171.23 18.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.46 1.769 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 168.28 25.18 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.508 1.794 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -87.87 -143.65 8.79 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.3 m -156.2 140.88 16.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.409 0.711 . . . . 0.0 110.413 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.19 143.4 3.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 160.11 163.89 14.33 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 179.78 5.76 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.7 p -157.62 148.02 20.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 59.4 p -150.75 157.84 43.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.04 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.01 -58.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 109.987 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.55 149.62 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.033 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.2 -169.55 18.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 t -145.79 119.5 9.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 0.743 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.89 147.73 10.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.13 -115.45 2.75 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -121.97 -138.89 5.49 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.566 HG11 ' HA ' ' A' ' 57' ' ' PRO . 22.1 t -120.89 118.65 57.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 0.734 . . . . 0.0 109.276 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.82 148.44 50.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 88.1 t -131.38 119.07 42.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.456 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 18.2 tt0 -75.53 111.43 10.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.027 HG22 HD13 ' A' ' 78' ' ' LEU . 75.5 t -94.37 134.42 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -134.2 146.49 50.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.74 67.54 1.72 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.642 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.7 OUTLIER -133.01 125.03 18.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.642 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.4 Cg_endo -74.95 147.52 34.28 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.1 Cg_endo -75.07 -29.36 8.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.4 -26.68 13.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.437 HG11 ' HG ' ' A' ' 71' ' ' LEU . 24.3 t -91.83 122.47 65.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 109.327 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.454 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.2 Cg_endo -75.0 162.29 37.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -63.26 -39.54 94.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.443 ' HG2' HD23 ' A' ' 24' ' ' LEU . 6.1 tt0 -40.4 -52.78 2.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.724 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -66.93 -49.17 66.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.766 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -40.15 -43.94 1.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 49.5 p -81.04 -52.22 7.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.417 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.778 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -42.03 -33.09 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -79.66 -63.37 1.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.521 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 15.1 m-85 -53.98 -49.54 68.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -50.44 -51.61 45.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.239 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.449 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 3.9 t-20 -56.35 144.79 29.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.25 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -83.1 -57.93 3.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -47.47 -47.38 27.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.449 ' CG ' ' HB3' ' A' ' 31' ' ' ASN . 18.0 mmm180 -53.21 -63.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.7 p -116.61 -68.11 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 130.01 59.48 0.1 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.14 -148.76 6.49 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.71 -149.45 5.36 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 97.02 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.553 1.818 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.2 t -50.24 122.86 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -56.83 16.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.0 179.04 9.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.844 ' CE3' HD12 ' A' ' 52' ' ' LEU . 8.0 t-105 -151.21 111.66 4.18 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -99.86 97.25 8.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.503 ' HG3' ' CZ2' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -73.57 131.46 41.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.554 HD12 ' HA2' ' A' ' 50' ' ' GLY . 81.0 mt -113.9 -169.54 1.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 46' ' ' LEU . . . -35.45 -65.93 0.41 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 m -100.65 -75.43 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.69 -107.51 1.06 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.554 ' HA2' HD12 ' A' ' 46' ' ' LEU . . . 141.97 170.46 12.52 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.525 HG23 HD11 ' A' ' 46' ' ' LEU . 2.9 t -92.92 127.29 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.844 HD12 ' CE3' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -109.69 156.41 20.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.7 m -125.3 133.8 52.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.391 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.758 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 14.5 m-85 -111.53 119.03 37.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -39.04 -55.49 1.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -100.08 150.61 37.04 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.566 ' HA ' HG11 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.06 -51.24 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.524 1.802 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.76 -42.45 93.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.645 ' O ' HG23 ' A' ' 63' ' ' VAL . 45.1 m-20 -59.36 -30.01 68.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.758 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -78.89 -43.06 25.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.371 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.3 -43.25 99.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.351 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -56.92 -17.55 10.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 59' ' ' ASP . 56.6 t -91.51 -44.72 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.496 ' HA ' HD23 ' A' ' 64' ' ' LEU . 10.6 mt -61.98 -38.08 87.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.81 -30.19 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.454 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 1.5 tt0 -92.5 112.79 24.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.88 2.37 20.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -129.06 149.71 50.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.356 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.663 ' CD2' HD23 ' A' ' 78' ' ' LEU . 84.3 m-70 -153.98 137.21 15.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.624 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -124.41 121.96 36.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.766 ' CD2' HD12 ' A' ' 25' ' ' LEU . 12.5 tp -143.93 100.02 3.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.456 ' NE2' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER 64.62 54.46 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.571 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 50.69 77.61 0.12 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -177.92 137.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.324 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -91.32 100.57 13.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.659 ' H ' HD22 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -80.54 130.24 35.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 m -95.64 99.83 11.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 1.027 HD13 HG22 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -86.84 143.11 27.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -152.75 161.09 30.09 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 113.56 3.82 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.514 1.797 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.456 ' HB2' ' N ' ' A' ' 12' ' ' GLU . . . -66.84 160.67 67.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . 18.4 Cg_endo -75.04 156.93 42.86 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 82' ' ' PRO . 18.1 Cg_endo -75.01 55.53 3.98 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.33 110.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.94 151.96 76.58 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 153.36 41.74 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.793 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -121.9 120.35 34.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.468 ' C ' HD23 ' A' ' 89' ' ' LEU . 4.1 ttt85 -172.75 117.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.338 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.617 ' H ' HD23 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -166.96 61.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.617 HD23 ' H ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -152.83 89.55 1.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.7 -67.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 52.63 82.79 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 162.67 157.01 8.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 94' ' ' LEU . 3.5 mm? -95.02 159.79 32.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 168.95 23.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 159.41 41.23 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.793 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 158.78 71.18 0.02 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.0 t -140.68 150.12 43.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 110.402 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.43 139.47 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.06 97.32 0.34 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 104.48 1.91 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.8 t -98.81 122.09 41.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.3 m -162.17 165.77 26.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.966 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 t -159.94 -48.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 109.977 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 m 63.32 -82.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.958 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.47 116.85 2.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 t -109.48 -50.1 3.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.774 . . . . 0.0 110.019 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m 51.99 85.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.73 -101.2 0.15 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.8 170.91 48.47 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.489 HG21 ' CA ' ' A' ' 57' ' ' PRO . 6.1 t -129.57 120.03 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -126.29 144.31 50.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.607 HG13 ' O ' ' A' ' 79' ' ' ARG . 96.2 t -126.77 124.69 65.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.485 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 4.7 tm-20 -75.87 117.66 17.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.9 HG22 HD13 ' A' ' 78' ' ' LEU . 91.1 t -101.13 129.79 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -129.8 145.5 51.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.418 ' O ' HD13 ' A' ' 76' ' ' LEU . . . 77.44 61.25 2.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.543 1.152 . . . . 0.0 111.051 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.615 HD13 ' CD1' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -132.9 123.02 17.9 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 109.334 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.517 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.4 Cg_endo -75.0 149.17 36.27 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.799 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.5 Cg_endo -74.91 -29.87 7.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.515 1.797 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.99 -30.85 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 t -87.39 128.31 55.54 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.4 24.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -76.06 -12.52 60.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.15 -46.87 75.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 110.34 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.656 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -72.13 -51.61 20.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.615 ' CD1' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -39.14 -38.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' GLU . 29.5 p -85.6 -50.89 6.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.357 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.771 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -44.05 -34.38 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.472 ' CB ' HD13 ' A' ' 71' ' ' LEU . 22.6 t80 -76.97 -62.22 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.612 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 15.7 m-85 -57.38 -17.76 14.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' THR . 2.0 mt-10 -86.5 -43.18 12.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.47 124.46 23.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -24.3 54.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -48.43 17.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -66.97 -49.32 65.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' A' ' 36' ' ' GLY . 0.4 OUTLIER -102.95 -82.25 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.404 ' N ' ' OG ' ' A' ' 35' ' ' SER . . . 123.91 61.42 0.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.437 ' HA3' ' CG2' ' A' ' 63' ' ' VAL . . . -142.07 -109.91 0.77 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.76 -153.56 7.13 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 156.16 42.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.558 1.82 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 71.8 t -110.99 125.06 68.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -66.44 -55.08 17.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 t -157.26 178.92 9.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.627 ' CE3' HD12 ' A' ' 52' ' ' LEU . 10.4 t-105 -146.75 140.41 25.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 107.982 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.608 ' HG2' HD21 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -128.49 111.35 13.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.318 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.569 ' C ' HD22 ' A' ' 46' ' ' LEU . 5.0 ttp180 -86.53 110.96 20.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.608 HD21 ' HG2' ' A' ' 44' ' ' GLN . 3.3 mm? -123.49 92.25 3.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . 60.57 -145.85 47.07 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.4 m -65.61 78.31 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . 128.79 -130.07 6.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 138.27 173.26 12.88 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.5 t -102.99 127.51 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.318 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.627 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.1 tt -109.59 151.1 27.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.9 m -119.59 128.2 53.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.861 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 22.7 m-85 -104.93 126.68 52.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.524 ' HA ' HD12 ' A' ' 41' ' ' LEU . 48.4 ttt85 -40.11 -60.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -102.4 157.21 34.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.489 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.3 Cg_endo -75.0 -52.86 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.445 1.761 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.81 -38.69 82.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -66.72 -19.11 65.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.861 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -93.3 -32.29 14.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.426 ' HG2' ' N ' ' A' ' 62' ' ' ARG . 3.5 pt-20 -72.42 -39.16 68.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.426 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -58.08 -19.62 33.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.513 HG21 ' CE2' ' A' ' 54' ' ' PHE . 22.9 t -90.0 -46.66 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.362 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.521 ' HA ' HD23 ' A' ' 64' ' ' LEU . 10.4 mt -59.3 -40.11 85.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.082 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.73 -30.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.439 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 8.6 tt0 -86.32 116.31 24.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.16 2.74 19.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 109.287 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -129.15 147.3 50.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.71 ' CG ' HD23 ' A' ' 78' ' ' LEU . 75.7 m-70 -153.04 126.23 8.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.568 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.87 129.38 50.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.61 ' CD2' HD12 ' A' ' 25' ' ' LEU . 2.2 tp -149.49 105.73 3.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.571 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER 61.41 68.53 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 109.612 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.58 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 37.64 88.74 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.454 1.096 . . . . 0.0 111.019 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 170.68 148.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.367 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -101.1 105.8 17.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.722 ' N ' HD22 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -91.46 131.42 36.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.0 m -98.38 99.91 11.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.9 HD13 HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -86.73 139.0 31.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.607 ' O ' HG13 ' A' ' 11' ' ' VAL . 2.0 mtt85 -152.76 162.49 26.29 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 114.63 4.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.55 1.816 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.677 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -67.22 170.47 6.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.677 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.5 Cg_endo -74.96 149.51 36.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.523 1.802 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 82' ' ' PRO . 18.2 Cg_endo -74.98 160.01 40.74 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.36 86.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 60.78 154.42 0.1 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -49.34 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -169.61 68.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.35 61.15 0.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.51 -67.95 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 90' ' ' LEU . 1.5 mm? 51.93 82.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -60.14 144.9 48.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -83.51 125.41 31.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.26 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -141.47 112.35 0.76 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -158.07 151.06 18.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 168.63 24.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 153.61 41.64 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -164.48 103.42 0.21 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 39.4 p -142.92 115.18 8.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 110.415 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 46.3 t -144.65 155.6 43.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.039 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 49.45 80.91 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.524 1.14 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 176.55 9.78 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.478 1.778 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.35 141.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.035 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.1 t -176.03 136.51 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.64 -58.01 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 0.805 . . . . 0.0 110.056 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.1 p -96.07 125.84 40.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.998 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.07 171.84 26.49 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.51 86.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.971 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.46 -55.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.91 -68.94 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.556 1.16 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -129.0 -166.93 12.05 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.729 HG21 ' HA ' ' A' ' 57' ' ' PRO . 41.1 t -118.5 124.79 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -133.47 143.81 49.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 79' ' ' ARG . 89.1 t -128.34 120.63 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.415 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -73.69 114.61 12.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.265 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.004 HG22 HD13 ' A' ' 78' ' ' LEU . 96.3 t -95.62 135.18 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 77' ' ' SER . 2.6 ttm180 -134.29 146.94 50.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.3 65.24 2.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.695 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.4 OUTLIER -129.39 126.68 22.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.556 0.798 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.695 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.97 151.38 39.59 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.53 1.805 . . . . 0.0 111.045 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.97 -43.79 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.515 1.797 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.5 -37.44 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.506 HG11 ' HG ' ' A' ' 71' ' ' LEU . 40.5 t -80.57 122.21 82.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.475 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.6 Cg_endo -74.9 179.91 5.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' GLU . 4.7 p-10 -76.89 -45.94 26.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 22' ' ' ASP . 1.1 pm0 -35.3 -51.05 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.761 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -66.95 -52.75 39.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.731 HD22 ' CE2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -39.67 -37.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.8 p -87.95 -49.08 7.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.426 1.079 . . . . 0.0 110.385 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.775 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -45.91 -30.21 1.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.402 ' CE1' ' O ' ' A' ' 70' ' ' GLU . 58.0 t80 -82.81 -64.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.655 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 13.3 m-85 -54.04 -27.25 31.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -75.74 -45.44 36.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.65 139.17 57.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 33' ' ' ARG . 10.0 ptt180 -83.94 -37.08 22.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.404 ' N ' ' HG3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -63.84 -49.64 72.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -58.24 -58.95 6.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.527 ' OG ' HG13 ' A' ' 63' ' ' VAL . 2.9 t -104.86 -82.07 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.53 79.91 0.33 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.554 1.159 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.14 -89.52 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.04 -153.55 11.76 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.93 21.53 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.7 t -121.21 123.45 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -54.63 23.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.86 179.5 9.05 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.731 ' CE2' HD22 ' A' ' 25' ' ' LEU . 8.6 t-105 -147.01 122.24 10.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 108.01 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.462 ' HG2' HD21 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -111.59 104.56 12.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.877 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -82.9 121.01 26.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 110.338 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.877 HD22 ' C ' ' A' ' 45' ' ' ARG . 3.4 mm? -130.24 87.6 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.35 -117.58 4.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 97.2 m -81.84 -51.27 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -98.71 -120.49 4.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 139.14 166.42 10.6 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.3 t -89.8 124.04 42.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.773 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.632 HD12 ' CE3' ' A' ' 43' ' ' TRP . 3.3 tt -109.88 153.26 24.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 1.154 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 9' ' ' VAL . 54.3 m -120.87 138.05 54.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.674 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 16.0 m-85 -112.3 125.24 53.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.0 ttt85 -38.13 -60.77 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -99.39 155.7 36.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.729 ' HA ' HG21 ' A' ' 9' ' ' VAL . 18.3 Cg_endo -74.99 -53.16 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.556 1.819 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.81 -39.52 89.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -61.22 -25.17 66.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.674 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -81.62 -53.59 6.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -56.4 -36.66 69.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -27.44 40.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.571 HG12 ' HE1' ' A' ' 69' ' ' HIS . 41.5 t -85.91 -44.92 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 64' ' ' LEU . 9.9 mt -56.75 -38.88 73.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.45 -36.14 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.443 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 0.2 OUTLIER -88.0 116.26 26.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.14 2.56 20.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -125.72 145.22 50.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.669 ' CD2' HD23 ' A' ' 78' ' ' LEU . 65.8 m-70 -148.67 134.22 18.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.579 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.402 ' O ' ' CE1' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -119.43 132.26 55.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.711 ' HB3' HD21 ' A' ' 76' ' ' LEU . 43.6 tp -152.53 95.62 2.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 60.45 61.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.557 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 48.52 76.84 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -177.74 132.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.746 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -87.93 97.49 10.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.711 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -78.57 125.4 29.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.142 . . . . 0.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 14' ' ' ARG . 13.7 m -90.93 101.05 13.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 1.004 HD13 HG22 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -86.57 143.9 27.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.478 ' O ' HG13 ' A' ' 11' ' ' VAL . 31.9 mtt-85 -152.76 158.44 33.11 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.132 . . . . 0.0 110.255 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 115.53 4.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.485 1.782 . . . . 0.0 111.044 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.415 ' HB2' ' N ' ' A' ' 12' ' ' GLU . . . -66.96 158.09 82.14 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.07 39.46 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 167.05 27.91 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.784 . . . . 0.0 111.055 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.73 95.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -119.53 152.09 52.58 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.237 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 154.95 43.17 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -174.62 -73.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -174.5 134.58 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.14 138.98 48.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -159.04 126.45 4.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -61.52 151.19 33.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -107.83 161.61 14.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -108.8 157.16 15.33 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 3.8 mm? -90.44 144.48 30.86 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.486 0.756 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 94' ' ' LEU . 18.5 Cg_endo -74.96 171.2 18.77 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 176.14 10.3 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 111.002 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -156.91 121.99 1.13 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.66 119.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.0 m -166.81 -178.66 4.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.962 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -145.44 134.0 5.31 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.115 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 159.63 41.2 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.533 1.807 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.5 p -177.1 160.48 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.95 168.17 20.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.64 120.33 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.764 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.05 88.23 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.99 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.19 -165.28 13.63 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.2 -54.93 1.04 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 0.75 . . . . 0.0 110.035 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.48 101.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.83 -130.86 10.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.16 -174.04 42.55 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' ' 53' ' ' THR . 2.0 t -134.33 141.29 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -136.07 144.57 45.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 79' ' ' ARG . 77.5 t -132.32 118.83 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -74.81 116.11 15.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 110.338 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.922 HG22 HD13 ' A' ' 78' ' ' LEU . 88.3 t -103.43 136.99 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.488 ' HG2' ' CB ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -139.06 149.2 44.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.93 42.52 10.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.602 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -111.91 123.47 34.49 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.777 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.602 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.96 147.94 34.8 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.458 1.767 . . . . 0.0 111.035 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.0 -32.98 4.93 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.479 1.779 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.49 -31.78 4.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -87.24 124.42 68.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 161.46 38.8 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.478 1.778 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 26' ' ' THR . 11.9 p-10 -62.84 -39.41 94.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.472 ' HG2' HD23 ' A' ' 24' ' ' LEU . 5.5 tt0 -39.95 -55.75 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.754 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -63.08 -50.78 69.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.709 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -40.31 -42.17 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 22' ' ' ASP . 45.4 p -83.81 -51.15 7.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.432 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.776 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -43.26 -31.91 0.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.351 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.432 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 24.4 t80 -81.65 -65.24 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 15.2 m-85 -51.08 -49.93 59.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -51.58 -50.76 59.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -55.56 147.71 17.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.228 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -64.03 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.8 -51.45 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.432 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 6.8 mmp_? -46.53 -67.08 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 88.3 p -115.24 -72.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.017 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 134.33 60.38 0.07 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.36 -151.65 7.57 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.1 -154.04 6.95 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 97.85 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.002 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.8 t -45.93 119.51 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -58.45 -53.78 54.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.1 t -154.7 172.95 17.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.791 ' CE3' HD12 ' A' ' 52' ' ' LEU . 15.1 t-105 -146.22 130.75 17.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 107.966 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -126.62 97.39 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.2 ttp85 -71.84 121.35 18.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 87.8 mt -112.04 -167.94 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -42.85 -87.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.14 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 61.7 m -55.34 -77.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.09 -85.86 1.23 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 145.42 159.57 8.19 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.1 t -86.94 127.73 40.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.791 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -110.03 148.94 30.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.376 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 9' ' ' VAL . 7.7 m -115.39 122.12 44.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.365 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.65 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 9.2 m-85 -98.91 113.3 25.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.457 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 58.2 ttt-85 -38.57 -42.88 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.72 133.73 23.59 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.554 ' CB ' HG21 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.01 -36.12 2.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.09 -37.8 86.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.594 ' O ' HG23 ' A' ' 63' ' ' VAL . 63.3 m-20 -78.71 -24.51 44.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.65 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -77.29 -41.78 39.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -52.99 -47.99 67.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.252 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.12 -33.18 62.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 59' ' ' ASP . 21.6 t -75.16 -36.8 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.508 HD21 HG13 ' A' ' 11' ' ' VAL . 12.7 mt -70.89 -43.74 67.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.32 -33.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.405 ' N ' ' C ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -94.02 106.26 18.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 110.301 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.45 -0.08 18.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.413 ' O ' ' CD2' ' A' ' 69' ' ' HIS . 3.9 t70 -119.44 139.73 51.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.77 ' CD2' HD23 ' A' ' 78' ' ' LEU . 67.7 m-70 -150.95 134.82 16.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.603 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.6 124.26 44.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.709 ' CD2' HD12 ' A' ' 25' ' ' LEU . 15.0 tp -145.15 102.63 3.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.455 ' NE2' HD13 ' A' ' 24' ' ' LEU . 0.6 OUTLIER 58.69 65.89 1.16 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 109.579 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.623 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 41.95 86.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 168.42 139.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.41 ' C ' HD13 ' A' ' 76' ' ' LEU . 11.4 pt20 -93.77 110.13 21.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.71 HD22 ' O ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -90.25 131.76 35.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.488 ' CB ' ' HG2' ' A' ' 14' ' ' ARG . 0.9 OUTLIER -94.34 105.59 17.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.922 HD13 HG22 ' A' ' 13' ' ' VAL . 1.1 mm? -93.8 133.92 36.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.54 ' O ' HG13 ' A' ' 11' ' ' VAL . 29.6 mtt-85 -152.65 161.4 29.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 115.21 4.22 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.424 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -67.23 162.35 55.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.424 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.02 113.5 3.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -179.61 5.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.462 1.769 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.505 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 0.0 OUTLIER 53.33 101.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 84' ' ' ARG . . . 72.1 161.15 0.16 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.4 ' HD2' ' HB1' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -74.96 -38.05 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.466 1.771 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 49.62 88.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -130.31 152.06 50.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.6 tt -65.84 140.42 58.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.36 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.3 tp -120.23 140.41 51.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -50.29 110.95 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.76 99.39 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 175.01 123.19 0.73 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.96 151.47 63.84 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.49 0.759 . . . . 0.0 109.366 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 172.58 16.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.448 1.762 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.3 16.63 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.541 1.811 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -176.24 77.31 0.07 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 70.1 p -122.72 137.09 55.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 110.395 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.6 p -167.08 163.89 15.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 110.019 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 155.07 100.93 0.18 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.558 1.161 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 170.42 20.46 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.534 1.808 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.1 t -161.93 146.89 12.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.986 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.55 -58.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.985 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.541 1.151 . . . . 0.0 111.026 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 t -111.4 150.79 29.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 109.982 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.6 t 42.02 84.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.89 -64.02 0.19 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.454 ' CB ' ' NH1' ' A' ' 84' ' ' ARG . 66.4 m 61.35 172.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.783 . . . . 0.0 109.951 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.4 m 55.6 86.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.959 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.1 101.28 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.05 -136.68 13.71 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.566 HG21 ' CB ' ' A' ' 57' ' ' PRO . 2.0 t -140.14 142.27 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.754 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -136.73 140.21 42.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.6 t -128.32 118.19 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 79' ' ' ARG . 52.6 tt0 -73.64 108.92 6.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.948 HG22 HD13 ' A' ' 78' ' ' LEU . 97.7 t -91.47 139.44 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -136.55 145.14 44.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.09 66.52 2.01 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.673 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -135.06 126.34 17.59 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 109.265 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.673 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.98 146.82 33.18 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.537 1.809 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.98 -35.21 3.29 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.797 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.33 -45.0 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.5 t -72.39 127.27 90.38 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 168.91 23.79 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.475 1.776 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 26' ' ' THR . 9.7 p-10 -73.45 -22.92 60.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.454 ' HB2' HD23 ' A' ' 24' ' ' LEU . 1.2 mt-10 -55.36 -52.81 62.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.733 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -67.31 -48.74 66.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.832 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -40.62 -45.84 2.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 22' ' ' ASP . 73.8 p -78.06 -50.75 11.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.772 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -44.28 -31.84 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -79.47 -66.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.551 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 19.6 m-85 -52.58 -29.73 27.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -73.34 -45.51 54.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.12 137.72 57.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 ptt85 -85.68 -37.84 18.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.6 mtt85 -63.03 -46.15 88.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.266 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -58.63 -63.45 1.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.78 -73.14 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.7 65.75 0.16 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.93 -131.48 2.71 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.65 -156.04 6.67 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.17 31.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.447 1.761 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.0 t -98.81 129.54 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.358 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -55.41 8.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.41 179.35 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.959 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.524 ' CZ2' ' HA ' ' A' ' 45' ' ' ARG . 9.5 t-105 -148.44 132.55 17.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 108.022 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -121.31 97.26 5.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.524 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 11.7 ttp180 -74.26 130.03 38.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 45' ' ' ARG . 64.9 mt -131.21 98.69 4.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.22 -117.82 5.33 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 58.9 m -88.38 62.19 6.53 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 146.39 -140.21 8.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 140.36 161.57 8.76 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.0 t -92.72 130.81 41.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.873 HD22 ' CE1' ' A' ' 54' ' ' PHE . 5.2 tt -109.88 150.92 27.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 9' ' ' VAL . 13.8 m -115.59 120.89 40.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.873 ' CE1' HD22 ' A' ' 52' ' ' LEU . 23.1 m-85 -102.05 119.29 38.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.6 ttt85 -41.46 -56.14 2.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 1.0 OUTLIER -105.44 133.06 20.36 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.08 . . . . 0.0 110.284 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.566 ' CB ' HG21 ' A' ' 9' ' ' VAL . 18.1 Cg_endo -74.97 -34.94 3.47 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.504 1.792 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.85 -50.92 72.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.641 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.6 OUTLIER -64.69 -39.27 93.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.456 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -57.57 -40.69 79.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -59.34 -46.47 88.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -24.32 63.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.266 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 59' ' ' ASP . 39.3 t -83.66 -39.87 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' A' ' 66' ' ' GLN . 11.7 mt -67.59 -43.64 80.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -39.44 -30.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.437 ' N ' ' C ' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -89.51 112.23 23.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.36 2.08 19.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -123.16 141.09 52.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.69 ' CD2' HD23 ' A' ' 78' ' ' LEU . 68.7 m-70 -147.43 121.17 9.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.57 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.94 130.99 53.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.912 ' HB3' HD21 ' A' ' 76' ' ' LEU . 27.1 tp -151.48 95.51 2.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.434 ' NE2' HD13 ' A' ' 24' ' ' LEU . 0.8 OUTLIER 60.77 50.25 5.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.58 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 59.39 73.79 0.43 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.95 127.78 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.763 . . . . 0.0 109.305 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -88.65 93.48 9.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.912 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -76.61 135.03 39.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.8 m -95.4 100.52 12.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.948 HD13 HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -86.85 137.12 32.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 12' ' ' GLU . 78.1 mtt180 -152.59 157.29 33.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 122.73 7.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.1 158.49 81.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . 18.3 Cg_endo -74.99 135.78 19.55 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.493 1.786 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 82' ' ' PRO . 18.5 Cg_endo -74.93 157.49 43.02 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.477 1.777 . . . . 0.0 111.072 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.454 ' NH1' ' CB ' ' A' ' 5' ' ' SER . 11.0 ttt180 -82.54 95.03 7.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 65.12 153.4 0.12 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 125.1 9.1 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 40.53 89.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.2 ttt-85 -161.78 96.59 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.6 pp -111.79 119.69 39.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 tt -88.29 108.19 19.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.36 125.74 2.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -123.69 158.5 31.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -164.29 131.91 2.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -103.4 150.51 38.07 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 172.81 15.64 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.565 1.824 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 159.44 41.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.468 1.773 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -135.73 97.71 0.28 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.1 t -164.97 148.72 8.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 110.419 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 t -175.76 153.29 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 147.43 100.24 0.25 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 176.62 9.68 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.4 p -107.01 153.65 22.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.97 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.48 151.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.031 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -73.42 87.3 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 110.007 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.1 160.87 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.1 96.16 0.11 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.5 p 41.06 84.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 m 64.0 103.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.983 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.53 133.77 8.77 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 171.81 -110.55 0.36 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.624 HG21 ' CA ' ' A' ' 57' ' ' PRO . 29.0 t -124.46 124.31 68.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.489 0.758 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -128.48 151.97 48.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.559 HG13 HD21 ' A' ' 64' ' ' LEU . 86.9 t -135.72 118.99 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.33 110.79 9.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.865 HG22 ' CD1' ' A' ' 78' ' ' LEU . 75.5 t -89.5 136.22 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.473 ' HG3' ' N ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -131.21 142.05 50.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.473 ' N ' ' HG3' ' A' ' 14' ' ' ARG . . . 75.69 68.98 1.45 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.744 HD13 ' CD1' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -134.59 124.76 17.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 109.269 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.635 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.4 Cg_endo -75.02 150.12 37.61 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.538 1.809 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -40.58 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.432 1.753 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.34 -41.58 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.5 HG11 ' HG ' ' A' ' 71' ' ' LEU . 58.6 t -72.38 120.82 82.61 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.473 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.4 Cg_endo -74.99 149.24 36.48 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.547 1.814 . . . . 0.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -51.67 -38.3 54.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -41.57 -55.56 2.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.7 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -64.68 -51.67 61.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.966 HD12 ' CD2' ' A' ' 71' ' ' LEU . 2.8 tp -39.59 -44.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.0 p -79.5 -46.81 16.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.776 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.82 -38.07 33.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.484 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 28.6 t80 -71.57 -60.14 2.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.48 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 13.3 m-85 -55.79 -40.62 72.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -61.2 -48.54 81.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.442 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 2.7 t-20 -58.08 143.07 44.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.49 -60.25 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -47.44 -53.76 13.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.484 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 86.0 mmt-85 -42.81 -60.69 1.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -125.3 -68.65 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 120.95 75.0 0.39 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -133.37 -102.1 0.78 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.35 -155.62 18.24 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 103.07 1.67 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.619 HG13 HD21 ' A' ' 52' ' ' LEU . 55.0 t -57.45 120.74 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.457 HD23 ' HG3' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -60.71 -56.81 16.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.59 179.6 8.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.746 ' CE3' HD12 ' A' ' 52' ' ' LEU . 9.0 t-105 -148.22 114.83 5.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 107.987 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -105.9 97.71 7.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.43 127.26 32.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.3 mt -119.39 73.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.43 -90.67 0.73 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.122 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.8 m -80.95 -77.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.595 ' HA2' HD23 ' A' ' 16' ' ' LEU . . . -89.02 -112.6 1.26 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.82 168.26 12.06 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.8 t -93.34 129.56 43.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.746 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.1 tt -109.6 153.42 24.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.6 m -119.6 135.83 54.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.605 ' CE2' HG21 ' A' ' 63' ' ' VAL . 17.4 m-85 -113.94 122.93 48.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.457 ' HG3' HD23 ' A' ' 41' ' ' LEU . 44.0 ttt180 -38.13 -59.63 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -98.1 154.13 37.84 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.624 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.5 Cg_endo -74.99 -52.04 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.461 1.769 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.86 -35.69 75.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -65.52 -17.72 64.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.572 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -93.43 -40.95 10.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 62' ' ' ARG . 4.2 pt-20 -61.82 -40.59 95.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.342 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.411 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -57.63 -36.08 71.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.605 HG21 ' CE2' ' A' ' 54' ' ' PHE . 60.1 t -73.7 -39.99 53.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.559 HD21 HG13 ' A' ' 11' ' ' VAL . 13.6 mt -65.95 -44.43 85.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -38.8 -31.0 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 64' ' ' LEU . 1.1 tt0 -97.75 107.67 20.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.58 0.52 19.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -118.27 135.21 54.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.922 ' O ' HD22 ' A' ' 76' ' ' LEU . 85.1 m-70 -153.1 125.01 7.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.614 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.99 142.93 38.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.966 ' CD2' HD12 ' A' ' 25' ' ' LEU . 44.5 tp -154.24 95.77 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 54.41 66.91 1.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.589 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.621 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 49.89 82.18 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 168.49 126.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -87.95 112.01 22.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.922 HD22 ' O ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -90.2 121.43 32.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' ARG . 20.3 m -87.81 104.78 16.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.865 ' CD1' HG22 ' A' ' 13' ' ' VAL . 1.6 mm? -86.47 141.53 29.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -152.78 159.05 32.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 117.19 4.81 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.646 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -67.15 169.18 8.99 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.646 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.0 116.17 4.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 166.68 28.69 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.497 1.788 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.35 125.24 34.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -173.29 147.77 1.49 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 168.42 24.83 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.511 1.795 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -169.54 72.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -98.45 139.87 33.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.284 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.75 66.28 2.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.34 164.15 28.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -51.15 128.88 23.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -164.61 106.93 0.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 165.92 108.09 0.21 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 0.1 OUTLIER -107.76 145.89 32.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 109.251 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 94' ' ' LEU . 18.1 Cg_endo -75.02 171.48 18.23 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 177.48 8.52 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -100.76 -169.08 28.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.128 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.5 t -157.26 157.83 34.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.79 145.13 3.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.031 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.15 96.69 0.14 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.454 1.096 . . . . 0.0 111.004 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 176.64 9.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.6 t -118.04 147.4 43.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 27.6 t -53.15 159.18 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.995 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.571 1.17 . . . . 0.0 110.996 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.5 t -108.06 -58.36 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.2 p -66.47 152.27 45.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.033 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.33 168.84 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.44 -59.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 0.0 109.979 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -65.26 144.93 56.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.71 -150.53 22.23 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -177.43 179.74 48.02 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.603 HG21 ' CA ' ' A' ' 57' ' ' PRO . 16.5 t -125.03 122.31 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.455 0.738 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -130.32 143.88 51.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.444 HG13 ' O ' ' A' ' 79' ' ' ARG . 52.8 t -127.32 124.38 63.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.94 116.62 14.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.974 HG22 HD13 ' A' ' 78' ' ' LEU . 85.4 t -96.4 132.37 40.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 77' ' ' SER . 14.8 ttm180 -132.89 147.13 52.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.18 68.5 1.59 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.678 HD12 ' HD2' ' A' ' 17' ' ' PRO . 1.2 tp -134.52 124.58 17.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.678 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.4 Cg_endo -74.99 151.93 40.16 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.457 1.767 . . . . 0.0 111.051 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.422 ' C ' ' N ' ' A' ' 20' ' ' VAL . 18.2 Cg_endo -75.02 -43.11 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.444 1.76 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.87 -28.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.422 ' N ' ' C ' ' A' ' 18' ' ' PRO . 57.1 t -88.92 121.55 69.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.483 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.3 Cg_endo -74.99 -179.67 5.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' GLU . 6.0 p-10 -77.23 -46.24 23.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 22' ' ' ASP . 1.2 pm0 -35.08 -51.06 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.753 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -66.27 -52.77 44.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.794 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -39.16 -40.19 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.8 p -84.41 -50.87 7.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.767 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -42.8 -31.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.402 ' CB ' HD13 ' A' ' 71' ' ' LEU . 9.8 t80 -82.49 -63.0 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.683 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 15.5 m-85 -54.07 -44.91 71.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -61.56 -44.6 96.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -55.45 134.67 50.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 ptt-85 -86.92 -29.65 21.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.2 -45.41 19.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -62.33 -51.72 66.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.356 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.61 -77.29 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.006 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.48 73.01 0.5 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.501 1.125 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.75 -81.04 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.95 -157.18 28.52 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.423 ' HG2' ' CD ' ' A' ' 55' ' ' ARG . 18.3 Cg_endo -74.97 155.01 43.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.4 t -104.53 122.43 57.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -63.02 -53.23 57.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.0 179.56 9.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.638 ' CE3' HD12 ' A' ' 52' ' ' LEU . 8.8 t-105 -147.36 125.39 12.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 107.992 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 51' ' ' VAL . 0.7 OUTLIER -115.97 99.08 7.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.684 ' O ' HD23 ' A' ' 46' ' ' LEU . 6.1 ttp180 -80.48 131.11 35.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.684 HD23 ' O ' ' A' ' 45' ' ' ARG . 57.6 mt -128.34 -134.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' GLY . . . -68.71 100.74 0.71 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.2 m 69.47 -65.43 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . -90.13 -114.07 1.57 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 135.69 173.97 13.21 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 44' ' ' GLN . 2.6 t -96.81 127.64 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.638 HD12 ' CE3' ' A' ' 43' ' ' TRP . 2.3 tt -110.58 152.2 26.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.4 m -122.04 132.71 54.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.408 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.911 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 13.9 m-85 -106.94 137.21 45.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.45 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 28.3 ttt180 -45.13 -62.29 1.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -103.7 160.22 26.81 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.603 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.1 Cg_endo -75.02 -46.33 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.448 1.762 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 62' ' ' ARG . . . -61.76 -44.04 97.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.613 ' O ' HG23 ' A' ' 63' ' ' VAL . 53.1 m-20 -57.7 -42.65 84.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.911 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -67.4 -36.26 80.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -74.0 -34.52 64.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -62.52 -19.32 63.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 59' ' ' ASP . 44.1 t -92.94 -44.2 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.491 ' HA ' HD23 ' A' ' 64' ' ' LEU . 9.2 mt -57.63 -38.78 75.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.21 -31.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.451 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 5.4 tt0 -90.51 114.88 27.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.04 2.38 20.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -127.7 147.65 50.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.364 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.678 ' CD2' HD23 ' A' ' 78' ' ' LEU . 61.2 m-70 -150.5 135.96 18.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.592 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.07 124.91 45.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.794 ' CD2' HD12 ' A' ' 25' ' ' LEU . 21.3 tp -144.64 98.93 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.546 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER 57.29 58.58 3.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.596 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.533 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 52.34 84.18 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 173.88 133.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.272 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -89.48 96.04 10.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.671 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -77.23 126.34 30.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ARG . 6.4 m -92.97 99.69 12.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.974 HD13 HG22 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -88.07 143.69 26.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.444 ' O ' HG13 ' A' ' 11' ' ' VAL . 1.8 mtt85 -152.61 161.97 27.75 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.364 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 118.54 5.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.499 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -67.38 164.75 34.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.499 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.05 142.56 27.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 82' ' ' PRO . 18.2 Cg_endo -75.03 56.09 4.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.802 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.54 145.42 51.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -167.19 152.63 7.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.178 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 115.85 4.4 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.5 1.79 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -150.08 119.91 7.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -116.85 91.52 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.8 mt -148.58 107.43 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.246 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.79 90.74 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -49.48 124.74 9.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -63.0 94.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.325 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 162.98 176.77 35.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.546 1.153 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.608 HD23 ' HD2' ' A' ' 95' ' ' PRO . 0.1 OUTLIER -162.72 157.41 18.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.608 ' HD2' HD23 ' A' ' 94' ' ' LEU . 18.4 Cg_endo -74.96 170.35 20.61 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.447 1.762 . . . . 0.0 111.032 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 178.5 7.18 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -165.89 87.66 0.1 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.3 t -168.47 134.96 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.426 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.64 120.47 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.045 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -169.32 73.38 0.13 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -179.54 5.08 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.494 1.786 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 85.5 p -164.1 163.04 23.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 81.1 p -162.76 158.96 23.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.043 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 179.968 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.36 164.81 17.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.027 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 p 61.05 113.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.25 149.49 21.63 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.128 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 p -113.19 143.06 45.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 110.017 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -166.4 136.41 3.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.017 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.0 -164.06 11.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.135 . . . . 0.0 111.029 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -119.22 -80.59 0.68 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.637 HG11 ' HA ' ' A' ' 57' ' ' PRO . 3.1 t -120.82 130.36 74.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 0.0 109.368 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -135.53 143.67 45.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.624 ' CG1' HD21 ' A' ' 64' ' ' LEU . 57.8 t -127.33 119.13 51.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -76.66 115.99 16.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.283 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.959 HG22 HD13 ' A' ' 78' ' ' LEU . 84.3 t -97.08 139.51 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -134.28 147.07 50.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.504 ' O ' HD13 ' A' ' 76' ' ' LEU . . . 69.98 66.45 2.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.743 HD12 ' HD2' ' A' ' 17' ' ' PRO . 2.3 tp -128.27 124.74 23.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.743 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.2 Cg_endo -75.04 150.07 37.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.98 -36.92 2.28 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.459 1.768 . . . . 0.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.49 -34.21 2.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.425 HG11 ' HG ' ' A' ' 71' ' ' LEU . 18.9 t -86.57 120.47 71.99 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.3 Cg_endo -75.02 -179.94 5.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 23' ' ' GLU . 6.0 p-10 -76.72 -46.42 25.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 22' ' ' ASP . 0.9 OUTLIER -35.13 -49.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.756 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -69.5 -53.3 19.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.726 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -39.78 -39.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' GLU . 49.9 p -83.04 -46.47 12.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.366 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.757 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.82 -30.57 14.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -80.41 -49.87 10.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 22.6 m-85 -76.62 0.84 18.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' THR . 17.2 mt-10 -101.32 -39.5 7.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.274 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.459 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -74.63 127.37 32.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -66.31 -53.29 38.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -50.06 62.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.459 ' CG ' ' HB3' ' A' ' 31' ' ' ASN . 0.2 OUTLIER -52.84 -62.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -105.76 -73.74 0.67 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 109.967 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.41 ' N ' ' OG ' ' A' ' 35' ' ' SER . . . 121.53 49.75 0.26 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.31 -100.67 1.48 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.28 -155.02 11.88 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 141.01 25.95 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.548 1.814 . . . . 0.0 110.964 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.5 t -95.76 122.12 46.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -55.42 30.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.25 179.29 9.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.75 ' CE3' HD12 ' A' ' 52' ' ' LEU . 11.1 t-105 -151.16 132.12 14.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 107.978 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -124.04 97.24 5.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.755 ' O ' HD23 ' A' ' 46' ' ' LEU . 31.5 ttp180 -69.5 136.71 51.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.343 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.755 HD23 ' O ' ' A' ' 45' ' ' ARG . 31.8 mt -143.34 128.81 19.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.371 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' LEU . . . 37.93 -116.06 0.43 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 23.6 p -101.29 51.76 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' LEU . . . 166.85 -128.48 1.75 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 136.16 160.93 8.97 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.7 t -91.39 128.47 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.75 HD12 ' CE3' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -109.75 156.64 20.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 9' ' ' VAL . 29.0 m -123.71 133.69 53.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.611 ' CE2' HG21 ' A' ' 63' ' ' VAL . 16.4 m-85 -112.61 121.12 43.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.1 ttt-85 -38.75 -57.55 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -99.32 151.23 37.34 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.083 . . . . 0.0 110.356 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.637 ' HA ' HG11 ' A' ' 9' ' ' VAL . 18.3 Cg_endo -74.94 -51.21 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.31 -44.02 88.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.651 ' O ' HG23 ' A' ' 63' ' ' VAL . 35.7 m-20 -56.44 -33.91 66.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.439 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -67.57 -59.04 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -50.76 -46.33 59.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -47.26 -35.95 8.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 59' ' ' ASP . 26.3 t -77.73 -36.73 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.624 HD21 ' CG1' ' A' ' 11' ' ' VAL . 26.8 mt -68.08 -37.92 81.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.06 -31.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.431 ' N ' ' C ' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -93.64 113.77 25.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.95 -0.56 21.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 69' ' ' HIS . 4.4 t70 -124.86 142.67 51.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.564 ' CD2' HD23 ' A' ' 78' ' ' LEU . 96.0 m-70 -156.1 119.05 4.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.604 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -111.6 134.1 53.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.726 ' CD2' HD12 ' A' ' 25' ' ' LEU . 4.9 tp -150.92 99.52 2.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.524 ' NE2' HD13 ' A' ' 24' ' ' LEU . 1.7 m-70 65.92 69.46 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.617 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.571 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 37.66 86.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 171.8 148.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 0.769 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.14 100.57 11.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.691 ' N ' HD22 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -88.89 127.3 35.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.2 m -98.33 107.2 19.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.026 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.959 HD13 HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -91.12 137.21 32.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.568 ' O ' HG13 ' A' ' 11' ' ' VAL . 14.7 mtt-85 -152.69 160.09 31.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 120.96 6.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.36 157.99 83.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 113.39 3.78 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 152.23 40.4 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.509 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 0.1 OUTLIER -104.57 90.14 3.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 110.309 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 84' ' ' ARG . . . 72.26 118.55 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 118.03 5.12 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.494 1.786 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 48.01 72.4 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.168 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -87.45 145.37 26.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.293 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -171.06 93.8 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.32 133.34 16.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.41 118.38 4.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -157.41 125.74 5.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 110.72 74.89 0.78 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.69 154.51 73.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 170.2 20.94 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.788 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 177.61 8.37 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.466 1.772 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 144.34 99.52 0.29 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.153 . . . . 0.0 111.0 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.7 m -130.27 98.54 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 110.347 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.2 144.42 25.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.023 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -114.3 157.39 15.01 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 126.18 9.82 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.573 1.828 . . . . 0.0 111.032 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.9 t -159.28 127.94 5.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 33.9 t 64.3 153.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 m 52.8 85.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 0.787 . . . . 0.0 110.001 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -144.23 -58.93 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.45 179.28 8.14 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 50.15 91.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 0.803 . . . . 0.0 109.989 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.9 p -102.74 98.38 8.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.969 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.21 169.64 26.94 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.538 1.148 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.93 113.1 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.525 HG21 ' CA ' ' A' ' 57' ' ' PRO . 14.1 t -132.03 125.71 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -129.85 145.9 51.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.504 HG13 ' O ' ' A' ' 79' ' ' ARG . 42.5 t -129.21 117.55 43.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 79' ' ' ARG . 3.5 tm-20 -74.6 114.56 13.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.879 HG22 HD13 ' A' ' 78' ' ' LEU . 78.7 t -96.72 135.92 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.3 147.66 51.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.496 ' O ' HD13 ' A' ' 76' ' ' LEU . . . 73.1 68.12 1.66 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.687 HD13 ' CD1' ' A' ' 25' ' ' LEU . 1.9 tp -131.71 120.97 17.88 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.781 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.586 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.03 155.9 42.84 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.407 ' C ' ' N ' ' A' ' 20' ' ' VAL . 18.3 Cg_endo -74.93 -40.72 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.769 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.59 -32.23 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.407 ' N ' ' C ' ' A' ' 18' ' ' PRO . 4.7 t -85.75 123.49 72.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 170.92 19.35 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.79 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 23' ' ' GLU . 43.4 m-20 -70.5 -55.06 9.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.433 ' CG ' HD23 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -36.24 -44.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 110.272 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -65.4 -65.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.793 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.7 OUTLIER -35.67 -38.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' GLU . 2.1 p -79.88 -47.7 14.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.412 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.807 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -48.26 -40.34 24.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.539 ' HB2' HD13 ' A' ' 71' ' ' LEU . 55.7 t80 -68.88 -52.08 33.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.759 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 19.9 m-85 -68.39 -12.61 61.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' THR . 6.9 mt-10 -88.36 -44.78 10.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -67.07 122.1 17.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -71.5 -21.43 61.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -76.6 -45.14 31.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -62.18 -54.67 37.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.2 p -112.87 -75.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.035 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.59 58.08 0.07 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -129.12 -124.9 2.68 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -159.03 -152.71 6.54 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 96.31 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.6 t -44.05 120.88 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -58.85 -57.56 12.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.2 t -147.84 176.95 9.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.773 ' CE3' HD12 ' A' ' 52' ' ' LEU . 8.6 t-105 -151.16 122.25 7.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 108.065 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -118.07 97.36 5.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -73.75 135.4 43.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.1 mt -133.48 -156.82 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.252 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 48' ' ' CYS . . . -69.15 120.87 10.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 47' ' ' GLY . 27.8 p 39.58 57.21 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 139.8 -141.2 11.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.86 167.07 13.5 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.2 t -93.56 125.02 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.773 HD12 ' CE3' ' A' ' 43' ' ' TRP . 2.1 tt -110.4 153.74 24.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 9' ' ' VAL . 51.3 m -119.51 133.06 55.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.419 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.687 ' CE2' HG21 ' A' ' 63' ' ' VAL . 10.3 m-85 -109.05 122.8 48.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.484 ' HA ' HD12 ' A' ' 41' ' ' LEU . 49.2 ttt85 -41.26 -56.26 2.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -100.28 149.74 36.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.525 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.4 Cg_endo -75.0 -50.31 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.554 1.818 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.73 -45.18 86.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.625 ' O ' HG23 ' A' ' 63' ' ' VAL . 13.4 m-20 -55.33 -36.17 65.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 57' ' ' PRO . . . -64.85 -52.67 55.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 64' ' ' LEU . 33.5 mm-40 -53.89 -52.29 60.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.433 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 5.3 mtt85 -43.81 -42.36 5.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.687 HG21 ' CE2' ' A' ' 54' ' ' PHE . 47.3 t -68.97 -37.11 76.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 61' ' ' GLU . 64.7 mt -69.74 -32.56 71.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 62' ' ' ARG . . . -40.16 -30.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.438 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 2.9 tt0 -103.35 114.28 28.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.69 -0.31 23.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -121.88 139.13 54.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.702 ' CD2' HD23 ' A' ' 78' ' ' LEU . 89.7 m-70 -148.47 128.69 13.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.57 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.72 127.46 50.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.793 ' CD2' HD12 ' A' ' 25' ' ' LEU . 3.0 tp -145.0 98.28 3.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 66.79 68.59 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.593 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.603 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 39.93 88.17 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 169.54 147.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 0.803 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -101.65 105.87 16.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.712 ' N ' HD22 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -91.94 125.86 36.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 m -93.77 101.57 13.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.879 HD13 HG22 ' A' ' 13' ' ' VAL . 1.1 mm? -86.57 136.86 32.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.504 ' O ' HG13 ' A' ' 11' ' ' VAL . 49.6 mtt180 -152.51 158.58 33.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 122.45 7.24 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.447 1.762 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.02 154.78 91.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 157.52 42.68 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.538 1.809 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 147.97 34.46 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.792 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -131.45 168.75 17.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -118.31 157.46 49.11 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 132.15 15.11 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 111.041 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -171.75 90.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -125.63 116.95 22.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.4 tp -168.97 82.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.088 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.2 pp -114.01 126.92 55.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 mt -77.81 141.74 39.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -140.89 136.56 32.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -166.02 -169.02 29.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.769 HD22 ' O ' ' A' ' 95' ' ' PRO . 0.0 OUTLIER -169.82 157.91 6.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.769 ' O ' HD22 ' A' ' 94' ' ' LEU . 18.1 Cg_endo -74.99 165.43 31.33 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.798 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 174.33 12.95 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.479 1.778 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -139.6 130.23 4.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 22.1 m -143.73 126.02 15.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.389 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 78.9 p -122.05 171.34 9.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.978 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -169.86 102.63 0.18 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -177.33 3.38 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.513 1.796 . . . . 0.0 111.069 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.2 m -134.58 171.7 13.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.36 171.94 13.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.14 . . . . 0.0 111.028 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.03 -58.77 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 110.011 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 p -40.63 144.95 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.12 -119.04 16.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -164.02 163.63 23.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.29 135.63 51.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.958 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.14 -94.22 2.24 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -138.01 156.87 24.06 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.66 HG21 ' CA ' ' A' ' 57' ' ' PRO . 24.2 t -122.89 125.37 72.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -129.93 148.79 51.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 79' ' ' ARG . 97.3 t -133.51 123.7 46.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.78 113.48 10.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.246 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.027 HG22 HD13 ' A' ' 78' ' ' LEU . 75.0 t -95.39 129.94 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 77' ' ' SER . 2.1 ttm180 -131.16 145.63 52.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.97 66.95 1.82 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.616 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.4 OUTLIER -134.99 125.58 17.25 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.563 0.802 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.616 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.98 147.83 34.54 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.534 1.807 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.99 -32.62 5.24 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.11 -41.68 17.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.488 HG11 ' HG ' ' A' ' 71' ' ' LEU . 20.3 t -76.65 124.67 87.8 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 165.7 30.76 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 3.4 p-10 -65.85 -40.19 91.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.485 ' HG2' HD23 ' A' ' 24' ' ' LEU . 8.6 tt0 -38.59 -55.28 1.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.818 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -65.03 -51.06 63.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.809 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -39.34 -43.86 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.462 ' H ' ' HG1' ' A' ' 26' ' ' THR . 48.8 p -81.08 -50.34 9.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.773 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -44.97 -34.14 2.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.52 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 46.5 t80 -75.27 -65.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.088 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.635 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 21.8 m-85 -53.58 -36.24 61.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -62.78 -48.8 77.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.405 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -69.17 142.81 54.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -78.48 -62.6 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -39.7 -47.49 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.52 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 6.1 mmt85 -51.89 -64.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 28' ' ' TYR . 2.4 p -119.75 -61.86 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 123.78 70.87 0.23 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.28 -151.07 5.37 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.9 -160.46 10.55 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 96.99 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.441 1.758 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.663 ' CG1' HD21 ' A' ' 52' ' ' LEU . 53.7 t -47.14 120.68 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -56.06 -59.45 4.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.31 179.43 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.024 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.749 ' CE2' HD22 ' A' ' 25' ' ' LEU . 7.8 t-105 -148.36 120.31 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -109.83 97.79 7.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 110.343 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.516 ' HG3' ' CZ2' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -72.11 133.06 44.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 66.7 mt -128.13 82.96 2.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.34 -85.51 0.1 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 0.0 111.064 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 60.5 m -92.74 -76.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.1 -118.14 0.51 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 134.15 161.52 9.63 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.0 t -88.33 125.67 41.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.76 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.663 HD21 ' CG1' ' A' ' 40' ' ' VAL . 1.8 tt -109.44 152.35 25.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.102 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 9' ' ' VAL . 62.2 m -121.86 133.35 54.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.453 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.781 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 18.2 m-85 -108.32 129.0 55.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.464 ' HA ' HD23 ' A' ' 41' ' ' LEU . 36.0 ttt85 -38.23 -61.99 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -105.27 161.26 23.3 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.66 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.2 Cg_endo -75.08 -46.25 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.459 1.768 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.55 99.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.643 ' O ' HG23 ' A' ' 63' ' ' VAL . 79.1 m-20 -57.51 -36.81 72.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.781 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -74.23 -46.57 40.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.44 -48.65 80.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.93 -21.67 1.86 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 59' ' ' ASP . 85.9 t -88.59 -51.96 11.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 64' ' ' LEU . 12.5 mt -54.38 -38.17 65.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.28 -36.23 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.458 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 10.8 tt0 -85.46 118.8 25.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.82 6.06 19.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.19 138.89 51.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.617 ' CD2' HD23 ' A' ' 78' ' ' LEU . 31.8 m-70 -146.51 131.53 18.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.601 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 71' ' ' LEU . 0.7 OUTLIER -120.75 135.67 55.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.809 ' CD2' HD12 ' A' ' 25' ' ' LEU . 26.2 tp -154.13 96.53 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 61.24 62.63 1.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 109.628 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 46.59 78.0 0.09 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -178.95 135.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -90.02 97.56 11.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.721 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -77.7 126.37 30.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 14' ' ' ARG . 14.3 m -93.53 97.63 10.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 1.027 HD13 HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -87.21 142.05 28.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.496 ' O ' HG13 ' A' ' 11' ' ' VAL . 18.2 mtt180 -152.59 160.63 30.92 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 119.92 5.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.777 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.44 157.84 84.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . 18.3 Cg_endo -74.98 146.92 33.32 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.495 1.787 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 82' ' ' PRO . 18.4 Cg_endo -74.96 162.66 36.83 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.3 ttt-85 -172.67 -61.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -172.26 151.01 2.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 176.92 9.27 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.523 1.802 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -145.86 125.89 13.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.79 -55.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.7 mt 60.63 87.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -147.51 -62.7 0.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.29 -62.92 0.68 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.3 -65.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.312 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.496 ' C ' HD22 ' A' ' 94' ' ' LEU . . . 122.48 75.23 0.33 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.469 1.105 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.496 HD22 ' C ' ' A' ' 93' ' ' GLY . 3.7 mm? -111.51 158.41 36.41 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.74 28.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 164.32 33.53 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.768 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.55 137.08 16.98 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.112 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.6 t -106.76 -26.94 11.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 110.401 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.31 94.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.975 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.6 76.51 0.23 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 179.12 6.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.799 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.41 137.06 33.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.037 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.3 p -162.76 146.66 11.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 0.0 110.941 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 p -140.57 134.28 30.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.763 . . . . 0.0 110.019 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 m -111.06 167.75 10.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.16 96.69 0.09 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.566 1.166 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.67 -57.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.976 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -149.58 123.18 9.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.983 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.58 -108.77 0.97 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.03 -84.69 0.58 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.691 HG21 ' CA ' ' A' ' 57' ' ' PRO . 58.7 t -125.57 121.73 60.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.767 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -130.36 139.91 50.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 79' ' ' ARG . 59.6 t -123.05 124.59 70.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.474 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 5.7 tm-20 -74.94 112.28 11.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.087 HG22 HD13 ' A' ' 78' ' ' LEU . 74.8 t -96.86 135.52 30.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.13 145.94 44.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.93 69.54 1.38 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.442 1.089 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.609 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.6 OUTLIER -136.4 124.63 15.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.491 0.76 . . . . 0.0 109.284 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.609 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.02 150.58 38.26 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.02 -36.84 2.3 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 110.948 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.07 -41.56 5.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.402 HG11 ' HG ' ' A' ' 71' ' ' LEU . 25.5 t -74.07 122.2 86.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 156.47 43.16 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -59.25 -36.01 74.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -43.12 -55.68 3.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.698 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -62.97 -51.44 66.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.784 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -40.1 -44.92 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.439 ' H ' ' HG1' ' A' ' 26' ' ' THR . 62.6 p -80.04 -51.38 9.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.778 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -43.16 -37.17 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -73.63 -67.22 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.56 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 20.1 m-85 -50.31 -36.74 33.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -66.32 -47.04 74.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.441 ' CB ' ' HG3' ' A' ' 34' ' ' ARG . 1.1 m-20 -60.59 140.15 57.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.5 ptt-85 -89.37 -34.43 16.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -37.57 72.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.441 ' HG3' ' CB ' ' A' ' 31' ' ' ASN . 8.4 mmt180 -64.17 -56.64 13.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.79 -59.86 1.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.69 74.5 0.94 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.56 1.163 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.455 ' HA3' ' CG2' ' A' ' 63' ' ' VAL . . . -139.86 -79.94 0.07 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.49 -158.49 30.27 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.429 ' HG2' ' CD ' ' A' ' 55' ' ' ARG . 18.2 Cg_endo -75.03 147.06 33.3 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 110.931 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 53' ' ' THR . 53.9 t -102.47 132.54 48.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -57.42 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.16 179.35 7.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.927 ' CE3' HD12 ' A' ' 52' ' ' LEU . 7.7 t-105 -148.04 118.53 7.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 107.995 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -109.77 97.34 6.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.52 133.8 40.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 29.3 mt -133.73 -161.17 1.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.3 110.83 3.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.142 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.4 t 47.78 68.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 129.0 -131.21 6.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 137.45 165.25 10.34 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.3 t -87.91 123.51 40.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.927 HD12 ' CE3' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -109.65 141.46 42.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.465 ' O ' HG13 ' A' ' 40' ' ' VAL . 30.5 m -111.19 128.21 55.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.418 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.883 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 11.2 m-85 -102.23 132.12 48.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.429 ' CD ' ' HG2' ' A' ' 39' ' ' PRO . 22.8 ttt180 -40.09 -61.8 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -105.39 161.61 22.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.691 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.5 Cg_endo -74.94 -47.06 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.507 1.793 . . . . 0.0 111.05 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.65 -44.49 96.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.636 ' O ' HG23 ' A' ' 63' ' ' VAL . 46.4 m-20 -55.46 -39.8 70.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.883 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -70.03 -43.44 71.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -61.53 -51.36 68.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.49 -24.06 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.637 HG21 ' CE2' ' A' ' 54' ' ' PHE . 57.0 t -86.45 -43.35 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.492 ' HA ' HD23 ' A' ' 64' ' ' LEU . 11.1 mt -60.33 -41.29 93.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.39 -32.43 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.255 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.434 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 0.4 OUTLIER -90.44 113.31 25.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.9 1.38 20.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -124.69 144.59 50.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.75 ' CD2' HD23 ' A' ' 78' ' ' LEU . 88.3 m-70 -149.89 111.47 4.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.553 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.92 130.17 42.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.957 ' HB3' HD21 ' A' ' 76' ' ' LEU . 22.3 tp -151.7 95.6 2.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.49 ' CD2' HD13 ' A' ' 24' ' ' LEU . 1.4 m-70 53.48 64.89 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.619 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.582 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 48.98 86.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 171.03 141.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -103.54 93.81 5.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.957 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -72.01 127.43 32.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.7 m -90.31 98.59 11.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 1.087 HD13 HG22 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -86.34 141.73 29.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.51 ' O ' HG13 ' A' ' 11' ' ' VAL . 20.2 mtm180 -152.86 158.77 32.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.88 3.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.474 ' HB2' ' N ' ' A' ' 12' ' ' GLU . . . -67.03 163.16 47.26 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.455 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.03 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.51 1.795 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 55.47 3.95 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.533 1.807 . . . . 0.0 111.041 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 169.45 -172.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -152.8 123.17 3.46 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.586 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 18.3 Cg_endo -74.98 119.0 5.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.53 1.805 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.586 ' HB2' ' O ' ' A' ' 86' ' ' PRO . . . 169.73 54.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -174.01 87.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.3 mm? 51.15 -179.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.2 tt -113.2 77.67 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.71 139.64 20.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -178.3 93.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.259 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -153.12 -135.55 2.19 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.43 158.68 35.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 169.54 22.39 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 164.16 33.81 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.762 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -103.54 -96.24 2.37 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 60.9 p -137.51 127.56 25.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 0.753 . . . . 0.0 110.408 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.7 t -157.46 162.17 38.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 154.15 84.93 0.05 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 176.52 9.81 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.3 t -141.86 142.92 33.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.963 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.4 t -142.31 150.81 41.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.536 1.147 . . . . 0.0 110.978 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.97 103.72 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.419 0.717 . . . . 0.0 110.033 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m 63.96 128.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.96 -166.94 31.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -73.58 127.6 33.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.792 . . . . 0.0 110.036 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -117.35 111.64 19.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.978 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.61 93.57 0.25 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 110.977 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.85 115.59 3.03 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.681 HG21 ' CA ' ' A' ' 57' ' ' PRO . 32.9 t -127.06 118.05 49.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.464 0.743 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -127.9 138.53 52.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 79' ' ' ARG . 95.2 t -121.9 121.01 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.512 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 9.4 tm-20 -74.08 114.24 12.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.01 HG22 HD13 ' A' ' 78' ' ' LEU . 82.9 t -93.78 134.76 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 77' ' ' SER . 1.0 OUTLIER -134.69 146.12 49.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.48 60.38 3.03 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.118 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.646 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -129.48 125.99 22.64 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.287 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.646 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -75.01 152.13 40.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -38.1 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.474 1.776 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.46 -38.74 6.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 42.9 t -77.74 121.03 83.63 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.435 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.4 Cg_endo -75.01 157.72 42.57 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.534 1.807 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.577 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 0.2 OUTLIER -60.18 -35.73 76.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' HG2' HD23 ' A' ' 24' ' ' LEU . 10.3 tt0 -43.6 -55.14 4.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.723 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -63.07 -48.56 78.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.664 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -40.06 -47.02 2.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 22' ' ' ASP . 25.7 p -79.42 -53.55 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.784 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -39.82 -31.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.432 ' N ' ' C ' ' A' ' 26' ' ' THR . 27.2 t80 -81.55 -61.69 1.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.655 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 22.9 m-85 -55.59 -43.92 76.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -59.67 -44.1 93.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.72 135.09 54.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -75.18 -62.95 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -42.23 -51.06 4.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -50.08 -68.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.254 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.7 p -109.06 -68.99 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.31 79.24 0.81 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.549 1.156 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.46 ' HA3' ' CG2' ' A' ' 63' ' ' VAL . . . -143.05 -85.19 0.08 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 165.81 -157.28 29.68 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.446 ' HG2' ' CD ' ' A' ' 55' ' ' ARG . 18.2 Cg_endo -75.02 141.73 26.93 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 53' ' ' THR . 42.2 t -96.78 120.64 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -56.82 17.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.33 179.34 8.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.707 ' CE3' HD12 ' A' ' 52' ' ' LEU . 13.4 t-105 -149.77 141.95 24.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.024 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -134.96 97.28 3.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.515 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 28.1 ttp85 -74.57 122.8 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.9 mt -110.79 -171.57 1.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -37.74 -90.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 m -104.67 69.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 134.23 -122.98 3.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.567 1.167 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 140.25 162.91 9.3 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.6 t -92.33 127.29 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.707 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.7 tt -109.91 147.63 33.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.6 ' O ' HG13 ' A' ' 40' ' ' VAL . 60.7 m -115.65 133.07 56.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.379 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.803 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 16.1 m-85 -107.78 127.12 53.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.446 ' CD ' ' HG2' ' A' ' 39' ' ' PRO . 31.5 ttt-85 -38.2 -60.84 0.73 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.23 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -103.62 160.67 25.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.681 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.1 Cg_endo -75.05 -46.63 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.99 -42.07 99.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.652 ' O ' HG23 ' A' ' 63' ' ' VAL . 81.8 m-20 -55.68 -40.46 72.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.803 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -68.73 -50.46 50.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -56.44 -48.13 77.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.288 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -48.18 -24.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 59' ' ' ASP . 21.5 t -90.04 -46.7 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.493 ' HA ' HD23 ' A' ' 64' ' ' LEU . 10.8 mt -56.6 -40.59 75.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.14 -30.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 64' ' ' LEU . 2.6 tt0 -89.35 114.37 25.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.88 2.46 20.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -126.92 147.69 50.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.661 ' CD2' HD23 ' A' ' 78' ' ' LEU . 65.3 m-70 -150.92 129.42 12.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.643 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -119.51 126.82 52.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.664 ' CD2' HD12 ' A' ' 25' ' ' LEU . 18.4 tp -147.44 95.62 2.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 60.9 63.26 1.31 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 109.621 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 46.92 82.52 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 175.83 131.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 109.264 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -88.85 97.86 11.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.631 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -79.31 127.49 32.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' ARG . 5.9 m -92.92 99.7 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 1.01 HD13 HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -86.41 140.44 30.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.505 ' O ' HG13 ' A' ' 11' ' ' VAL . 70.9 mtt180 -152.52 158.93 33.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 113.79 3.87 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.677 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -66.84 170.67 5.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.677 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.06 114.99 4.15 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.534 1.807 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.35 35.06 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.546 1.814 . . . . 0.0 110.977 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.6 120.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.279 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -171.64 151.6 2.93 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 179.77 5.77 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.82 -56.97 6.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.61 141.95 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -167.86 125.11 1.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -176.96 73.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -49.78 140.55 11.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -178.1 128.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 159.25 113.15 0.33 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.112 . . . . 0.0 111.006 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.513 ' HA ' HD12 ' A' ' 94' ' ' LEU . 4.3 tp -154.93 141.32 13.12 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.541 0.789 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 94' ' ' LEU . 18.2 Cg_endo -75.07 167.96 25.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.488 1.783 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.1 27.79 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.773 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -159.71 113.67 0.58 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.16 133.72 54.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 0.759 . . . . 0.0 110.382 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 72.5 p -155.68 142.25 18.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 159.13 108.66 0.25 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 160.28 40.38 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.0 p -167.98 176.05 6.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.6 t 61.27 143.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.984 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.99 156.59 33.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 110.026 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m 59.54 113.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.026 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.43 -103.28 0.24 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.1 p -75.74 161.1 29.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 110.023 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 m -142.36 -59.39 0.45 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.025 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.37 -150.1 49.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.74 176.6 32.38 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.617 HG11 ' HA ' ' A' ' 57' ' ' PRO . 3.4 t -120.31 128.57 75.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 0.779 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -136.74 142.53 43.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.7 t -126.8 121.21 57.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -73.86 109.86 7.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.955 HG22 HD13 ' A' ' 78' ' ' LEU . 74.3 t -90.64 130.39 39.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.0 146.12 52.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.76 65.0 2.22 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.605 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -133.62 124.62 18.04 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.467 0.745 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.605 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.2 Cg_endo -75.02 149.64 36.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.522 1.801 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.1 Cg_endo -75.02 -37.17 2.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.18 -30.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.8 t -87.61 122.41 70.5 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.462 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.2 Cg_endo -75.04 159.67 40.94 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.556 1.819 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.608 ' O ' HG23 ' A' ' 26' ' ' THR . 60.0 m-20 -62.11 -34.8 77.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.588 ' HG2' HD23 ' A' ' 24' ' ' LEU . 8.2 tt0 -44.57 -51.85 8.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.707 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -67.8 -48.19 66.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.758 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -39.45 -44.52 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 22' ' ' ASP . 20.3 p -80.85 -53.62 6.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.453 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.782 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -39.87 -31.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.428 ' N ' ' C ' ' A' ' 26' ' ' THR . 31.2 t80 -82.1 -60.24 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.562 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 19.5 m-85 -58.82 -52.68 64.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -45.89 -53.06 10.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -62.04 146.82 49.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -88.19 -49.33 7.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -50.26 59.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -54.7 -63.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.9 p -104.1 -70.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 117.61 84.01 0.98 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.43 ' HA3' ' CG2' ' A' ' 63' ' ' VAL . . . -161.45 -83.85 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.91 -156.92 26.64 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 160.42 40.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.792 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 53' ' ' THR . 44.3 t -109.45 127.54 66.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -67.44 -52.29 41.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.5 t -154.85 177.57 11.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.974 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.723 ' CE3' HD12 ' A' ' 52' ' ' LEU . 12.2 t-105 -150.99 136.17 17.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 107.975 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.467 ' HG2' HD21 ' A' ' 46' ' ' LEU . 6.2 tt0 -130.77 112.94 13.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.499 ' C ' HD22 ' A' ' 46' ' ' LEU . 4.5 ttp85 -89.71 113.42 24.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.499 HD22 ' C ' ' A' ' 45' ' ' ARG . 3.3 mm? -109.52 45.25 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.12 133.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.452 1.095 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.7 m 43.17 53.4 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 120.81 -147.64 17.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.149 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 145.01 175.87 18.53 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.5 t -96.27 125.35 49.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.532 0.784 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.723 HD12 ' CE3' ' A' ' 43' ' ' TRP . 2.1 tt -109.54 149.17 30.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 9' ' ' VAL . 7.3 m -119.07 125.6 49.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.856 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 19.0 m-85 -100.69 134.62 43.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.437 ' HA ' HD12 ' A' ' 41' ' ' LEU . 32.7 ttt180 -41.7 -63.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -104.5 161.16 23.67 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.617 ' HA ' HG11 ' A' ' 9' ' ' VAL . 18.4 Cg_endo -75.03 -46.84 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.63 -45.72 92.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.662 ' O ' HG23 ' A' ' 63' ' ' VAL . 61.6 m-20 -57.77 -33.93 69.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.856 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -76.66 -45.88 27.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -63.86 -37.55 87.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -19.11 41.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.3 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 59' ' ' ASP . 25.7 t -94.46 -43.62 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.491 ' HA ' HD23 ' A' ' 64' ' ' LEU . 8.8 mt -57.15 -41.09 78.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.99 -29.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.45 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 3.1 tt0 -90.28 113.84 25.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.29 1.99 19.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.586 ' O ' ' CD2' ' A' ' 69' ' ' HIS . 0.7 OUTLIER -123.67 153.81 40.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.674 ' CD2' HD23 ' A' ' 78' ' ' LEU . 65.2 m-70 -157.96 127.47 5.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.607 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -115.76 123.92 49.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.758 ' CD2' HD12 ' A' ' 25' ' ' LEU . 20.0 tp -144.85 97.17 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.532 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER 61.61 54.39 3.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.649 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 54.19 74.91 0.26 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.108 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.82 132.02 0.43 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 0.75 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -89.84 95.57 10.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.707 HD21 ' HB3' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -77.02 136.08 38.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.1 m -98.34 96.58 8.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.955 HD13 HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -86.78 135.43 33.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -152.76 162.72 25.68 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.257 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 120.51 6.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.681 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -67.06 170.81 5.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.681 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.98 126.24 9.86 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.424 ' O ' ' CB ' ' A' ' 84' ' ' ARG . 18.0 Cg_endo -75.05 149.9 37.14 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.436 1.756 . . . . 0.0 110.978 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.424 ' CB ' ' O ' ' A' ' 83' ' ' PRO . 4.3 mtp180 163.69 142.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.421 1.076 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -111.91 152.17 44.05 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.44 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 18.5 Cg_endo -74.96 -58.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.534 1.807 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 86' ' ' PRO . . . 178.21 162.81 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.9 86.14 7.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.0 93.72 9.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 27.0 tp -89.82 106.57 18.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.432 1.082 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -44.82 114.1 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -161.28 156.93 24.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.97 168.63 34.89 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.492 ' HA ' HD12 ' A' ' 94' ' ' LEU . 2.0 tp -137.37 142.71 38.5 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.735 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 94' ' ' LEU . 18.3 Cg_endo -74.96 167.04 27.93 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.787 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 115.14 4.2 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 0.0 111.003 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -130.1 72.28 0.48 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 m -128.06 126.29 40.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 0.0 110.383 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.18 134.05 21.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -177.45 90.22 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 173.48 14.42 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.27 163.39 39.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 27.5 p -139.22 168.24 20.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.003 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -152.6 112.89 4.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 0.731 . . . . 0.0 110.005 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 t -106.08 133.77 50.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.993 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.84 176.06 0.05 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.5 p -149.36 133.39 17.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 0.755 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 m -47.58 113.17 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.973 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.3 91.83 2.21 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.77 118.59 0.97 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.601 HG21 ' CA ' ' A' ' 57' ' ' PRO . 21.3 t -117.35 128.53 74.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.764 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -136.69 147.53 46.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.542 HG13 ' O ' ' A' ' 79' ' ' ARG . 98.8 t -130.5 120.27 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -73.93 116.88 15.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.949 HG22 HD13 ' A' ' 78' ' ' LEU . 78.3 t -97.95 137.74 24.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.59 145.29 51.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.38 67.66 1.85 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.59 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -132.04 123.53 18.99 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.59 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.97 144.3 30.2 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -75.05 -23.18 13.97 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.91 -20.38 8.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.1 t -98.98 124.21 46.34 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 178.36 7.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.523 1.801 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.479 ' O ' HG23 ' A' ' 26' ' ' THR . 0.3 OUTLIER -75.35 -43.14 52.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.484 ' HG2' HD23 ' A' ' 24' ' ' LEU . 7.6 tt0 -37.79 -54.11 1.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.795 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -67.33 -53.77 26.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.767 HD22 ' CE2' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -38.79 -38.5 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 22' ' ' ASP . 68.3 p -86.11 -50.17 7.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.771 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -42.99 -29.46 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.437 ' CB ' HD13 ' A' ' 71' ' ' LEU . 5.8 t80 -82.9 -63.09 1.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 23.0 m-85 -59.42 -13.84 10.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 26' ' ' THR . 19.8 mt-10 -89.64 -43.03 11.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.78 135.15 57.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.7 ptt-85 -86.27 -26.6 24.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.355 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -78.2 -42.0 32.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.34 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -64.27 -49.92 69.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.3 p -113.48 -76.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.023 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.26 49.07 0.2 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.45 -109.45 2.11 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.96 -155.14 9.16 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 151.42 39.52 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 53' ' ' THR . 11.4 t -104.35 119.71 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -53.49 57.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 43' ' ' TRP . 7.7 t -155.41 178.58 10.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.946 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.767 ' CE2' HD22 ' A' ' 25' ' ' LEU . 9.3 t-105 -151.08 141.07 22.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 108.027 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -136.11 97.46 3.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.368 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.5 ' HB2' ' CZ2' ' A' ' 43' ' ' TRP . 17.4 ttm-85 -77.64 121.72 24.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 45' ' ' ARG . 20.8 mt -117.92 118.24 31.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.68 -88.02 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 46' ' ' LEU . 5.4 p -113.46 -49.63 2.89 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.54 -122.58 0.87 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.96 151.31 7.01 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -87.51 126.83 41.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.726 HD12 ' CE3' ' A' ' 43' ' ' TRP . 2.5 tt -109.46 149.0 30.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.42 ' O ' HG13 ' A' ' 40' ' ' VAL . 10.4 m -118.27 132.2 56.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.4 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.672 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 17.4 m-85 -108.4 131.13 55.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 110.998 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.0 ttt-85 -40.3 -62.3 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.262 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -104.55 162.01 21.13 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.601 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.1 Cg_endo -75.06 -47.25 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.65 -41.81 98.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.558 ' O ' HG23 ' A' ' 63' ' ' VAL . 50.0 m-20 -59.44 -24.95 63.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.672 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -83.91 -50.6 7.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -57.28 -35.38 69.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -20.05 63.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.302 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.626 HG21 ' CE2' ' A' ' 54' ' ' PHE . 19.9 t -94.0 -42.8 13.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 64' ' ' LEU . 9.7 mt -61.94 -40.07 94.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.53 -30.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' LEU . 10.6 tt0 -92.79 112.28 24.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.09 0.99 19.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.417 ' O ' ' CD2' ' A' ' 69' ' ' HIS . 10.5 t70 -118.83 145.19 45.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.739 ' CD2' HD23 ' A' ' 78' ' ' LEU . 92.1 m-70 -156.88 122.27 4.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.613 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -121.71 120.13 33.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.653 ' HB3' HD21 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -144.37 101.34 3.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.533 ' CD2' ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER 69.54 62.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.573 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.569 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 39.74 85.47 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 171.53 126.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.748 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -84.45 92.81 8.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.684 ' N ' HD13 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -71.08 147.42 48.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 m -109.27 99.42 8.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.016 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.949 HD13 HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -86.66 138.6 31.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.542 ' O ' HG13 ' A' ' 11' ' ' VAL . 58.2 mtt-85 -152.49 158.15 33.44 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 119.5 5.66 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.496 1.787 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.625 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -67.25 168.63 10.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.625 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.97 149.42 36.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.504 1.792 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 82' ' ' PRO . 18.2 Cg_endo -75.02 55.56 4.0 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.468 1.773 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -155.72 116.69 3.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.44 159.69 15.94 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 158.2 42.11 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.493 1.786 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -140.86 135.35 31.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.69 144.82 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.32 82.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.66 104.99 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -48.1 115.67 1.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -75.55 149.04 38.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 139.2 102.05 0.53 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.658 HD23 ' HD2' ' A' ' 95' ' ' PRO . 0.0 OUTLIER -112.09 153.57 44.58 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.658 ' HD2' HD23 ' A' ' 94' ' ' LEU . 18.3 Cg_endo -75.04 166.36 29.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 149.31 36.29 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.536 1.809 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -115.34 138.64 14.86 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.0 t -169.09 131.47 1.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.759 . . . . 0.0 110.368 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.63 130.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.963 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -142.54 82.91 0.22 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 174.66 12.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.541 1.811 . . . . 0.0 111.063 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 63.9 m -153.68 146.78 24.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.0 t -158.76 171.58 19.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 110.012 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 m -108.87 -59.84 1.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -50.25 144.88 6.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.05 -70.68 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.13 175.16 9.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 110.04 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.6 t -88.75 -68.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.95 149.69 6.4 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 170.58 -95.43 0.11 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.591 HG21 ' CA ' ' A' ' 57' ' ' PRO . 9.4 t -121.07 127.67 75.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 0.784 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.47 144.4 44.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.244 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.549 HG13 HD21 ' A' ' 64' ' ' LEU . 85.2 t -130.41 128.97 64.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -86.51 107.52 18.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.012 HG22 HD13 ' A' ' 78' ' ' LEU . 65.5 t -88.51 149.53 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.411 ' HB2' ' CB ' ' A' ' 77' ' ' SER . 13.7 mmt180 -132.45 169.94 15.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 49.97 69.63 1.01 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.77 HD13 HD13 ' A' ' 25' ' ' LEU . 12.6 tp -124.73 114.37 26.88 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.604 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.3 Cg_endo -74.99 154.67 42.72 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -37.33 2.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.78 -44.59 19.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.6 t -78.07 120.8 82.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.092 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.456 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.3 Cg_endo -75.0 156.11 42.96 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.502 1.79 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.573 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 0.1 OUTLIER -59.42 -33.41 71.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -45.73 -54.39 7.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.713 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -64.21 -52.08 60.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.849 HD12 HD22 ' A' ' 71' ' ' LEU . 3.0 tp -39.85 -44.2 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 30' ' ' GLU . 16.4 p -80.18 -43.76 20.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.765 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -52.46 -36.64 55.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.561 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 32.4 t80 -73.61 -53.62 10.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.664 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 13.4 m-85 -62.93 -26.29 68.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 26' ' ' THR . 12.8 mt-10 -77.59 -44.73 27.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.425 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -65.39 146.24 55.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -80.51 -62.2 1.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.348 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.54 -50.33 7.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.561 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 9.4 mmm180 -48.32 -67.36 0.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 110.276 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.85 -73.85 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.993 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 119.24 75.53 0.47 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.54 -83.35 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 172.03 -160.08 31.54 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.415 ' HG2' ' CD ' ' A' ' 55' ' ' ARG . 18.4 Cg_endo -74.97 158.4 42.34 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.712 ' CG2' HD21 ' A' ' 52' ' ' LEU . 24.7 t -106.74 125.9 62.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -70.49 -50.74 34.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.9 t -148.61 177.89 9.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.688 ' CE3' HD12 ' A' ' 52' ' ' LEU . 16.4 t-105 -151.04 137.94 19.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 107.984 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -134.53 102.07 5.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.5 ' HD2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -75.21 117.53 17.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 45' ' ' ARG . 25.7 mt -115.31 -170.41 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.78 109.56 2.61 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.5 t 49.76 71.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 136.97 -127.85 4.19 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.35 149.32 6.08 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.4 t -86.52 124.47 40.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 0.774 . . . . 0.0 109.347 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.712 HD21 ' CG2' ' A' ' 40' ' ' VAL . 1.5 tt -109.78 142.98 40.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 9' ' ' VAL . 86.5 m -108.14 120.36 42.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.995 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 13.9 m-85 -93.8 128.12 39.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.439 ' HA ' HD12 ' A' ' 41' ' ' LEU . 31.3 ttt180 -38.38 -60.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -106.77 161.91 21.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.591 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.3 Cg_endo -75.01 -47.29 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.53 96.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.461 ' O ' HG23 ' A' ' 63' ' ' VAL . 40.0 m-20 -56.67 -36.49 69.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.995 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -77.31 -49.2 15.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -48.97 -51.03 32.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 17.7 ttt85 -46.15 -48.26 17.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.811 HG21 ' CE2' ' A' ' 54' ' ' PHE . 23.5 t -60.17 -39.3 80.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.549 HD21 HG13 ' A' ' 11' ' ' VAL . 16.0 mt -65.87 -46.01 79.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.84 -30.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.441 ' N ' ' C ' ' A' ' 64' ' ' LEU . 1.9 tt0 -99.56 110.29 22.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.37 1.88 20.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.588 ' O ' ' CD2' ' A' ' 69' ' ' HIS . 11.2 t70 -118.77 140.85 49.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.725 ' CD2' HD23 ' A' ' 78' ' ' LEU . 92.1 m-70 -161.77 135.17 6.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 109.596 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 71' ' ' LEU . 1.8 tt0 -129.57 139.34 51.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.849 HD22 HD12 ' A' ' 25' ' ' LEU . 3.8 tp -147.74 104.76 3.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 51.43 70.81 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.602 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.582 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 46.09 88.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 171.2 143.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -102.73 96.52 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.712 ' H ' HD22 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -78.27 137.55 38.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.411 ' CB ' ' HB2' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -108.76 107.17 17.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.001 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 1.012 HD13 HG22 ' A' ' 13' ' ' VAL . 1.5 mm? -88.19 134.11 33.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -152.64 162.98 24.98 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 118.02 5.11 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.531 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -66.99 165.43 26.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.531 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.99 155.02 42.94 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.556 1.819 . . . . 0.0 111.041 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 149.32 36.46 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.47 -59.94 2.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.483 ' HB1' ' HD2' ' A' ' 86' ' ' PRO . . . -125.46 164.17 34.04 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.483 ' HD2' ' HB1' ' A' ' 85' ' ' ALA . 18.2 Cg_endo -75.04 -44.62 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.538 1.809 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -159.54 108.28 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -116.37 98.07 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.71 90.24 3.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.16 77.38 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -48.9 137.11 13.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -170.09 160.85 8.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 136.32 -176.82 20.06 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.459 1.1 . . . . 0.0 111.05 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.737 HD23 ' HD2' ' A' ' 95' ' ' PRO . 0.1 OUTLIER -169.11 144.24 2.6 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.446 0.733 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.737 ' HD2' HD23 ' A' ' 94' ' ' LEU . 18.2 Cg_endo -74.99 168.87 23.88 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.499 1.789 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.99 31.03 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.523 1.802 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -142.76 96.03 0.19 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.9 t -159.5 119.84 3.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 110.344 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.45 147.03 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.038 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 168.33 78.96 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.56 22.36 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.515 1.797 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.56 110.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.5 t -173.47 136.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -153.05 105.7 2.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 0.752 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.82 151.22 21.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.01 119.54 1.78 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.4 t 45.64 87.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.757 . . . . 0.0 110.021 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.73 108.19 20.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.32 117.51 0.88 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -125.8 -131.01 3.52 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.523 HG21 ' CA ' ' A' ' 57' ' ' PRO . 4.2 t -128.55 130.62 69.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -136.67 145.29 44.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 84.8 t -128.91 120.11 51.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.476 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 67.0 tt0 -74.43 108.77 7.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.951 HG22 HD13 ' A' ' 78' ' ' LEU . 98.6 t -89.73 132.5 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 77' ' ' SER . 1.0 OUTLIER -131.9 146.99 52.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.414 ' N ' ' HG3' ' A' ' 14' ' ' ARG . . . 73.95 69.99 1.31 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.678 HD12 ' HD2' ' A' ' 17' ' ' PRO . 0.6 OUTLIER -134.59 126.1 17.93 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.678 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.5 Cg_endo -74.96 151.59 39.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.565 1.824 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -75.03 -43.53 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.461 1.769 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.26 -30.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.404 HG11 ' HG ' ' A' ' 71' ' ' LEU . 31.4 t -88.16 122.19 70.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.477 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.2 Cg_endo -75.01 -178.3 4.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' GLU . 28.7 m-20 -78.53 -46.32 19.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 22' ' ' ASP . 1.0 OUTLIER -35.16 -49.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.765 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -68.32 -52.8 29.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.726 HD12 ' CD2' ' A' ' 71' ' ' LEU . 0.4 OUTLIER -39.87 -39.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.5 p -84.45 -50.8 7.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.379 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.781 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -41.85 -39.32 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.492 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -72.17 -69.66 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.594 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 17.9 m-85 -47.28 -42.13 20.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -67.65 -44.29 78.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -59.68 134.47 57.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.6 1.188 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -80.23 -48.36 13.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.34 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -35.45 15.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -96.2 -30.35 13.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -151.61 86.87 1.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.77 64.89 0.31 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' SER . . . -117.08 -66.83 0.37 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.81 -164.46 34.18 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 178.03 7.81 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.6 t -122.02 120.9 62.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.438 ' CD1' ' HA ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -64.69 -48.16 75.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.6 t -158.55 174.85 14.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.981 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.675 ' CE3' HD12 ' A' ' 52' ' ' LEU . 10.8 t-105 -147.41 135.23 21.16 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -128.51 111.74 13.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.53 ' C ' HD22 ' A' ' 46' ' ' LEU . 1.1 ttp85 -91.18 113.39 25.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.53 HD22 ' C ' ' A' ' 45' ' ' ARG . 2.9 mm? -109.78 42.56 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.82 132.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.5 m 43.22 55.25 4.73 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 122.65 -142.81 14.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 137.63 177.56 15.25 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.2 t -100.83 128.28 53.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.792 . . . . 0.0 109.252 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.675 HD12 ' CE3' ' A' ' 43' ' ' TRP . 2.0 tt -110.92 150.53 29.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.5 m -118.68 126.45 51.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.417 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.736 ' CE2' HG21 ' A' ' 63' ' ' VAL . 16.7 m-85 -100.53 136.51 40.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.438 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 32.7 ttt180 -45.34 -60.11 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -107.9 161.17 24.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.523 ' CA ' HG21 ' A' ' 9' ' ' VAL . 18.4 Cg_endo -74.98 -46.71 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.556 1.819 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.84 97.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.469 ' O ' HG23 ' A' ' 63' ' ' VAL . 92.2 m-20 -60.65 -23.55 64.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.684 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -85.89 -37.65 18.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.22 -38.48 88.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.401 ' NE ' ' HA ' ' A' ' 62' ' ' ARG . 0.6 OUTLIER -59.32 -18.0 34.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.168 . . . . 0.0 110.331 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.736 HG21 ' CE2' ' A' ' 54' ' ' PHE . 16.4 t -93.0 -49.3 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.44 ' C ' ' N ' ' A' ' 66' ' ' GLN . 10.5 mt -57.53 -39.63 77.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -39.56 -30.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.459 ' O ' ' NE2' ' A' ' 69' ' ' HIS . 5.0 tt0 -91.56 115.85 28.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.6 3.46 21.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -129.92 150.16 51.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.242 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.734 ' CD2' HD23 ' A' ' 78' ' ' LEU . 53.0 m-70 -153.06 140.21 19.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.568 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -128.08 123.52 34.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.726 ' CD2' HD12 ' A' ' 25' ' ' LEU . 18.7 tp -144.05 106.33 4.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.236 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.545 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER 54.71 60.53 3.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.614 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.636 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 47.69 90.54 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 167.02 143.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.408 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 1.8 pt20 -95.09 107.67 19.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.725 ' H ' HD22 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -90.36 122.07 32.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 14' ' ' ARG . 7.3 m -90.1 101.93 14.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.951 HD13 HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -86.69 137.26 32.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 12' ' ' GLU . 16.2 mmt85 -148.24 158.83 40.77 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 112.82 3.65 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.675 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -66.58 170.57 5.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.675 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.08 115.93 4.42 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 154.59 42.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.3 128.28 23.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -139.97 144.82 39.79 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 161.18 39.13 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.521 1.801 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -101.53 -62.22 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 52.91 102.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.714 HD22 ' N ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -172.66 -177.51 1.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.714 ' N ' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -174.72 139.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' A' ' 91' ' ' LEU . 0.4 OUTLIER -60.37 112.48 1.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 64.47 144.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -104.12 82.68 0.38 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.583 HD23 ' HD2' ' A' ' 95' ' ' PRO . 0.0 OUTLIER -162.23 150.86 12.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.583 ' HD2' HD23 ' A' ' 94' ' ' LEU . 18.2 Cg_endo -74.97 169.33 22.85 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.445 1.761 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 171.91 17.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.435 1.755 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 173.11 105.62 0.19 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.7 p -127.71 176.15 7.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 110.4 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 82.5 p -165.36 119.6 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -161.12 130.92 2.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.135 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 178.66 6.96 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 59.8 p -126.5 164.06 22.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.976 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.29 169.82 16.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.14 -59.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.977 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.19 -57.27 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.11 164.88 0.8 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.448 1.092 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m -150.82 -55.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.19 146.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 110.011 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.6 99.38 0.46 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.48 -166.08 1.8 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.576 HG11 ' HA ' ' A' ' 57' ' ' PRO . 2.2 t -139.27 136.68 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 52' ' ' LEU . . . -135.46 145.58 47.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.0 t -131.07 129.94 63.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 40.9 tt0 -87.74 106.4 18.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.992 HG22 HD13 ' A' ' 78' ' ' LEU . 78.8 t -91.56 145.83 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.552 ' HG2' ' CB ' ' A' ' 77' ' ' SER . 1.4 ptm180 -134.82 154.6 51.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.352 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.52 ' O ' HD13 ' A' ' 76' ' ' LEU . . . 59.13 72.31 0.63 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.612 HD22 HD11 ' A' ' 25' ' ' LEU . 3.6 tp -129.39 116.6 18.61 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.529 ' HD2' HD12 ' A' ' 16' ' ' LEU . 18.4 Cg_endo -75.03 151.2 39.09 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -75.06 -37.65 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.797 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.32 -34.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.2 t -84.3 120.76 74.9 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.408 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 18.4 Cg_endo -74.99 149.24 36.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.472 1.775 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -53.01 -34.37 56.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -45.01 -54.83 6.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.665 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -65.21 -51.36 61.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.612 HD11 HD22 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -40.07 -41.03 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.9 p -84.08 -47.32 11.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.365 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.773 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -49.41 -36.17 21.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.461 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 28.5 t80 -75.08 -58.38 3.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.643 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 10.2 m-85 -57.49 -29.94 64.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -75.58 -38.04 59.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.436 ' HB3' ' CG ' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -65.28 146.26 55.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.46 -53.52 5.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 33' ' ' ARG . 12.3 mtp-105 -56.44 -45.72 80.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.249 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 2.5 mmp_? -51.19 -63.37 1.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 p -118.02 -64.87 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.21 54.01 0.14 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.496 1.122 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.3 -149.46 7.97 Favored Glycine 0 CA--C 1.529 0.933 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.66 -147.75 4.92 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.96 6.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 53' ' ' THR . 58.5 t -81.71 139.42 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.477 HD23 ' HG3' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -79.33 -56.6 4.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.69 179.22 8.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.758 ' CE3' HD12 ' A' ' 52' ' ' LEU . 10.3 t-105 -149.5 133.82 17.4 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.22 97.43 5.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.538 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 5.1 ttp85 -76.31 124.75 28.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 76.2 mt -121.73 -168.94 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.246 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.97 111.63 4.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.437 1.086 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t 47.79 60.79 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 147.01 -136.73 6.28 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 132.87 153.04 7.11 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 20.6 t -90.37 130.53 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.758 HD12 ' CE3' ' A' ' 43' ' ' TRP . 1.5 tt -110.88 154.27 24.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.563 ' O ' HG13 ' A' ' 40' ' ' VAL . 26.9 m -117.35 123.14 45.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.401 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.562 ' CB ' ' HB2' ' A' ' 60' ' ' ALA . 13.1 m-85 -102.95 108.8 20.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.477 ' HG3' HD23 ' A' ' 41' ' ' LEU . 61.4 ttt180 -38.51 -42.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 0.8 OUTLIER -115.24 130.58 24.14 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.576 ' HA ' HG11 ' A' ' 9' ' ' VAL . 18.5 Cg_endo -74.94 -34.5 3.85 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.23 98.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.757 ' O ' HG23 ' A' ' 63' ' ' VAL . 11.2 m-20 -72.3 -34.48 68.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.562 ' HB2' ' CB ' ' A' ' 54' ' ' PHE . . . -64.34 -43.39 94.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -52.5 -52.72 53.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.73 -25.66 19.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 59' ' ' ASP . 17.4 t -82.74 -39.9 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 64' ' ' LEU . 12.1 mt -70.84 -40.86 72.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' LEU . . . -38.7 -33.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.423 ' N ' ' C ' ' A' ' 64' ' ' LEU . 4.4 tt0 -98.12 111.89 24.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.81 0.31 21.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.588 ' O ' ' CD2' ' A' ' 69' ' ' HIS . 2.8 t70 -121.34 141.89 50.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.702 ' CD2' HD23 ' A' ' 78' ' ' LEU . 79.5 m-70 -157.86 129.68 6.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.623 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.94 132.34 56.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.576 ' CD2' HD12 ' A' ' 25' ' ' LEU . 4.6 tp -148.49 103.76 3.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.468 ' NE2' HD13 ' A' ' 24' ' ' LEU . 0.8 OUTLIER 60.76 71.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.6 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . 38.65 85.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 174.23 146.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -100.47 97.95 8.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.705 ' N ' HD22 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -88.92 124.73 34.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.552 ' CB ' ' HG2' ' A' ' 14' ' ' ARG . 0.5 OUTLIER -99.79 107.08 19.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.992 HD13 HG22 ' A' ' 13' ' ' VAL . 1.9 mm? -86.57 132.43 33.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 12' ' ' GLU . 4.0 mmp_? -147.75 159.49 40.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 114.9 4.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.627 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -67.08 168.91 9.54 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.627 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.05 150.45 37.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.532 1.806 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 82' ' ' PRO . 18.2 Cg_endo -74.96 167.11 27.79 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.47 1.773 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.17 95.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -44.21 150.98 0.58 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 154.21 42.21 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.536 1.809 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -140.91 60.06 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.8 ttt-85 -79.6 109.87 14.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -163.73 71.42 0.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -171.84 113.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -52.86 162.52 0.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.94 164.67 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 158.81 110.52 0.28 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.18 151.95 54.91 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 0.781 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 172.05 17.12 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.468 1.772 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.1 6.41 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.521 1.8 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -162.83 157.86 29.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.4 t -165.8 153.39 10.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 110.381 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.9 p -176.53 168.01 2.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.123 . . . . 0.0 110.039 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -170.57 77.58 0.1 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.151 . . . . 0.0 110.959 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -179.94 5.5 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.47 1.774 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.7 t -125.81 151.36 46.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.95 152.03 48.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.057 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.536 1.148 . . . . 0.0 111.011 -179.983 . . . . . . . . 0 0 . 1 stop_ save_