data_1uhz_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 1uhz _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 ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -32.52 5.27 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.437 1.756 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.473 ' CD1' ' HA ' ' A' ' 63' ' ' LYS . 10.5 mm -63.99 -67.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 t -49.74 -53.09 27.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.951 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -46.77 -38.26 9.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -47.65 26.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.17 -42.95 82.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -61.4 -28.77 69.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.569 HD12 ' CD2' ' A' ' 75' ' ' TYR . 53.2 mt -79.21 -35.86 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.438 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 17.9 mm100 -68.64 -33.52 74.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.44 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 11.7 pt20 -83.73 -42.68 16.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.44 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -64.31 -31.0 72.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -77.39 -18.76 57.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 mttt 66.1 30.83 9.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.34 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 19.8 mm-40 -99.29 -73.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 170.36 136.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.418 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 8.5 mt-10 -42.03 160.58 0.17 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.478 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.2 Cg_endo -74.98 150.51 38.37 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.64 104.04 12.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 66.9 m-85 -88.15 133.97 33.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 mp -132.88 131.82 59.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.441 ' CD2' ' HD2' ' A' ' 58' ' ' LYS . 2.5 tm? -80.5 116.31 20.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.404 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 14.0 mt -73.33 -64.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.7 -170.81 2.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.552 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.552 ' CD2' ' HB3' ' A' ' 31' ' ' GLU . 15.7 m-85 -103.06 128.91 49.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.404 ' CG1' ' HB2' ' A' ' 29' ' ' LEU . 21.7 t -93.9 120.65 43.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.69 147.94 41.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -123.73 150.38 44.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.423 ' CG1' ' HB2' ' A' ' 51' ' ' ALA . 14.8 p -137.36 129.73 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -117.38 116.93 28.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.6 t -125.47 110.4 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.38 -109.04 1.72 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 111.05 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -113.05 25.49 11.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 0.773 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -129.37 157.05 43.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -140.87 153.4 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.423 ' HB2' ' CG1' ' A' ' 44' ' ' VAL . . . -148.13 169.26 20.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 p -132.09 157.3 44.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.411 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.423 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -143.83 131.11 4.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.1 p -124.08 137.79 54.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.388 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -156.51 -174.76 26.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.473 1.108 . . . . 0.0 110.969 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.405 ' HD2' ' CD1' ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.99 -15.58 20.69 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.491 1.785 . . . . 0.0 111.052 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -147.85 155.71 41.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.441 ' HD2' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -45.95 -53.09 10.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -40.26 -73.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.405 ' CD1' ' HD2' ' A' ' 56' ' ' PRO . 65.0 mt -46.16 -48.5 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.26 -32.63 4.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.573 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -78.84 -45.3 21.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.473 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -60.56 -38.51 84.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -72.03 -24.8 61.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.423 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -65.08 -57.0 9.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.57 -46.9 83.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -44.32 -52.66 7.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.44 -42.47 98.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.163 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.462 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 27.9 tpp -59.15 -38.18 79.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.463 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 6.6 mt -72.82 -39.04 66.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.93 -47.81 60.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -57.99 -33.26 68.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.473 ' HB3' ' CD1' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -72.13 -38.34 69.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.89 37.04 2.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.569 ' CD2' HD12 ' A' ' 15' ' ' ILE . 5.9 m-85 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.559 0.8 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -33.29 4.68 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.482 ' CD1' ' HD2' ' A' ' 62' ' ' LYS . 38.0 mm -61.12 -66.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -60.66 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.026 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.6 ttt85 -39.02 -41.96 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.13 -49.58 34.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.71 -46.31 77.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -58.21 -30.39 66.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.572 HD11 ' CD2' ' A' ' 75' ' ' TYR . 41.8 mt -77.23 -36.84 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.466 ' CB ' ' HA ' ' A' ' 23' ' ' GLU . 18.3 mm100 -67.59 -33.82 75.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 2.3 pt20 -85.34 -45.1 12.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.479 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -60.1 -32.65 71.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -79.54 -19.06 50.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.4 mttt 66.53 30.82 8.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 6.6 mm-40 -96.25 -73.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER 169.83 134.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.466 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 4.1 mt-10 -40.97 160.79 0.13 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.471 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -74.96 148.17 35.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.504 1.792 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.5 101.33 11.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.574 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 54.7 m-85 -88.62 131.51 34.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mp -127.85 168.24 21.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.427 HD11 ' N ' ' A' ' 30' ' ' SER . 2.7 tm? -111.24 112.47 24.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.477 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 11.9 mt -69.96 -61.54 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.427 ' N ' HD11 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -175.99 -171.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.577 ' HG3' ' CE2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.577 ' CE2' ' HG3' ' A' ' 31' ' ' GLU . 15.3 m-85 -108.51 139.65 42.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.477 ' CG1' ' HB2' ' A' ' 29' ' ' LEU . 17.0 t -103.35 120.09 52.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.8 tpt -119.07 142.74 47.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.975 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -116.98 156.18 27.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.465 ' CG1' ' CB ' ' A' ' 51' ' ' ALA . 12.5 p -139.71 130.21 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -120.61 118.62 30.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.2 t -128.98 110.0 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.36 -110.57 2.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -110.98 24.53 12.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.783 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -127.4 155.42 43.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -142.01 154.18 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.465 ' CB ' ' CG1' ' A' ' 44' ' ' VAL . . . -151.26 172.63 15.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 p -142.38 160.02 41.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.428 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -151.91 146.92 16.12 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.0 p -134.88 154.96 51.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 0.731 . . . . 0.0 110.393 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -171.89 -165.47 29.11 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.536 1.148 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -27.21 10.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.453 1.765 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.468 ' OD1' ' CG1' ' A' ' 60' ' ' ILE . 5.0 p-10 -141.06 153.71 45.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' LYS . 5.6 ttmt -48.06 -51.56 23.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' LYS . 6.9 mmtp -39.79 -62.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.468 ' CG1' ' OD1' ' A' ' 57' ' ' ASN . 68.3 mt -57.61 -43.74 83.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.0 -52.17 26.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.574 ' HG2' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -54.51 -43.92 72.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -59.76 -41.75 91.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -66.76 -27.17 67.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.428 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -63.11 -55.47 25.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.3 83.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -46.12 -52.68 11.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.91 -39.55 94.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.443 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 32.5 tpp -63.1 -47.22 83.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.502 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 3.7 mt -64.28 -34.05 77.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -38.34 85.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -36.65 63.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.4 mt -65.72 -28.6 69.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.32 33.78 5.56 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.572 ' CD2' HD11 ' A' ' 15' ' ' ILE . 9.8 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.414 ' HG2' ' CA ' ' A' ' 63' ' ' LYS . 18.3 Cg_endo -74.99 -31.89 5.85 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.801 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.426 ' CD1' ' HA ' ' A' ' 63' ' ' LYS . 22.9 mm -65.12 -72.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.46 -54.91 2.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -47.8 -43.93 28.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -49.71 61.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.93 -42.44 80.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -61.79 -28.79 69.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.566 HD11 ' CD2' ' A' ' 75' ' ' TYR . 41.0 mt -78.73 -35.81 18.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 15.9 mm100 -67.07 -35.94 80.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.457 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 2.1 pt20 -82.06 -43.89 17.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.457 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -63.7 -29.78 70.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.092 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -79.23 -19.74 49.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.0 mttt 68.32 25.05 7.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 59.4 mm-40 -92.32 -76.74 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 2.5 tptm 172.45 136.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -42.32 159.22 0.2 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.484 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -75.01 147.2 33.56 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.441 1.758 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.06 104.1 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.593 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 95.9 m-85 -87.87 138.83 31.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mp -134.32 131.0 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -78.47 111.1 14.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.432 ' CD2' ' HB2' ' A' ' 43' ' ' GLN . 5.1 mt -68.5 -62.22 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.68 175.32 4.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -117.81 122.96 44.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.9 t -89.59 119.8 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.4 tpt -116.43 143.44 45.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.432 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 10.5 tt0 -119.19 153.42 34.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 15.0 p -138.85 132.52 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.41 119.98 32.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.247 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.3 t -129.19 110.14 19.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.73 -107.97 1.37 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.564 1.165 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.58 24.98 11.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.763 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.58 156.39 42.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -142.74 154.05 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.469 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -150.64 171.46 17.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.9 p -142.3 156.13 45.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.427 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -150.85 139.7 7.41 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.7 p -128.38 151.06 49.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 110.427 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -165.12 -166.09 23.5 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -20.91 16.45 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.474 1.776 . . . . 0.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -148.85 154.72 39.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.415 ' HD2' ' NZ ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -45.98 -52.73 11.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.415 ' NZ ' ' HD2' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -39.42 -68.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.0 mt -54.61 -38.77 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.79 -54.36 29.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.593 ' HG2' ' CE1' ' A' ' 26' ' ' TYR . 3.7 ttmm -56.97 -46.65 82.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.426 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 1.0 OUTLIER -53.97 -41.0 67.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -74.3 -23.95 59.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.427 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -65.86 -51.87 55.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.9 -40.52 93.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -48.26 -54.62 13.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.41 -41.21 93.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.46 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 34.3 tpp -60.62 -41.76 95.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.537 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 3.3 mt -72.58 -30.68 64.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.05 -41.38 74.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -38.04 78.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.569 ' HB3' ' CD1' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -64.08 -33.27 75.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.31 36.05 3.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.569 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 7.8 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.553 0.796 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -33.09 4.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.52 1.8 . . . . 0.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 12' ' ' LEU . 31.6 mt -67.6 -73.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.51 -50.92 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.968 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -53.02 -46.28 68.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -65.86 -49.78 66.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.22 -43.28 82.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -61.16 -28.9 69.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.57 HD13 ' CD2' ' A' ' 75' ' ' TYR . 47.1 mt -78.59 -35.96 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.456 ' CB ' ' HA ' ' A' ' 23' ' ' GLU . 15.8 mm100 -65.87 -32.14 73.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.42 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 2.4 pt20 -88.83 -42.09 12.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -61.34 -30.52 70.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.424 ' HD2' ' CG2' ' A' ' 15' ' ' ILE . 6.0 mtt-85 -84.38 -18.6 35.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 mttm 67.99 28.53 6.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 46.3 mm-40 -92.04 -74.36 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER 170.01 135.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.266 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 18.0 mt-10 -42.54 159.28 0.2 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.479 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -74.99 148.56 35.5 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.5 1.79 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.77 104.16 13.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.578 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 71.4 m-85 -88.05 135.21 33.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -132.49 131.59 60.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.1 tp -80.35 115.93 20.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.472 ' CD1' HG13 ' A' ' 41' ' ' VAL . 20.6 mt -71.01 -64.3 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.62 -164.55 0.66 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -112.37 124.25 52.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.472 HG13 ' CD1' ' A' ' 29' ' ' LEU . 16.1 t -88.87 130.45 38.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.23 147.77 50.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 9.1 tt0 -123.72 153.77 40.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 110.351 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 14.7 p -138.86 133.05 41.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -122.57 118.77 29.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.479 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.6 t -128.08 110.14 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.97 -107.68 1.29 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.104 . . . . 0.0 111.032 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -113.7 24.26 12.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -126.75 156.01 41.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -142.53 154.26 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.464 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -151.14 173.26 14.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.9 p -141.36 158.95 43.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.4 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.425 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -147.74 152.84 24.89 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.501 1.125 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 21.6 p -136.89 157.86 45.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 110.393 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.81 -172.19 42.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -25.12 12.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.412 ' ND2' HG13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -138.0 163.2 32.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -56.52 -42.72 78.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.95 -68.32 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.412 HG13 ' ND2' ' A' ' 57' ' ' ASN . 28.4 mt -53.28 -50.74 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.12 -39.51 28.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.578 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -68.05 -48.41 65.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.74 -45.51 70.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -61.28 -34.63 75.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.425 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -60.03 -48.16 82.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.36 -36.57 84.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.11 -54.41 46.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.73 -41.91 67.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.465 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 36.9 tpp -60.53 -50.7 72.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.487 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 1.9 mt -64.14 -34.09 77.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -38.32 85.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.66 -38.81 62.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.2 mt -62.81 -28.77 70.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.93 34.46 5.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.432 1.083 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.57 ' CD2' HD13 ' A' ' 15' ' ' ILE . 7.9 m-85 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -34.05 4.08 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.45 1.763 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.1 mt -65.59 -73.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -38.8 -50.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.2 ttt85 -54.35 -49.62 69.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -42.33 99.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.05 -44.07 96.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -59.82 -27.81 66.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.572 ' CD1' ' CD2' ' A' ' 70' ' ' LEU . 20.4 mt -80.81 -36.9 15.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.42 ' OE1' ' O ' ' A' ' 22' ' ' LYS . 4.2 mm-40 -65.49 -32.34 73.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.341 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.401 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 8.9 pt20 -85.41 -40.68 16.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.401 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -68.62 -27.65 66.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.4 mtt-85 -79.96 -17.5 52.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.327 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt 66.92 27.67 8.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 10.4 mm-40 -94.04 -73.59 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 163.61 138.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -37.91 156.62 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.506 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.2 Cg_endo -75.0 148.97 35.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -108.64 105.33 14.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.578 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 68.3 m-85 -88.55 134.19 33.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -131.22 130.43 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.475 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 15.6 tp -78.71 119.63 22.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.465 ' CD1' HG12 ' A' ' 41' ' ' VAL . 20.7 mt -77.25 -62.25 1.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.92 -178.13 4.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.947 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.519 ' CD1' ' HA ' ' A' ' 57' ' ' ASN . 13.7 m-85 -104.52 121.83 44.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 29' ' ' LEU . 15.8 t -88.74 122.57 40.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.43 149.36 43.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -124.82 152.58 43.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.443 ' CG1' ' HB2' ' A' ' 51' ' ' ALA . 14.6 p -137.53 132.05 44.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -119.4 117.17 27.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.506 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 7.1 t -125.89 109.89 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 0.0 109.272 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.4 -109.49 1.98 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.94 24.9 12.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -128.57 157.41 41.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -142.2 155.5 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.443 ' HB2' ' CG1' ' A' ' 44' ' ' VAL . . . -151.22 173.57 14.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 p -137.55 160.51 38.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.366 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.437 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -148.1 140.14 8.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.1 p -127.8 151.98 48.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.415 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.66 -172.56 38.48 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.12 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -14.2 21.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.463 1.77 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.519 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 16.7 p30 -151.93 167.17 29.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.475 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 20.6 ttmt -55.67 -50.86 69.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 1.4 mmtt -40.76 -76.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.457 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 62.6 mt -46.83 -54.36 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.97 -39.03 5.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.578 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -68.91 -49.62 56.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.04 -46.85 72.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.401 ' ND2' HG23 ' A' ' 60' ' ' ILE . 3.2 m-80 -60.35 -31.14 70.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.437 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -60.46 -50.47 73.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.05 -41.87 97.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -51.79 -58.61 5.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.69 -45.89 67.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.472 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 23.0 tpp -56.17 -48.95 75.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.572 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 3.5 mt -64.94 -31.28 72.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -37.28 75.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -37.03 65.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 75' ' ' TYR . 3.9 mp -63.0 -36.18 82.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.71 29.57 4.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.459 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 7.5 m-85 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.458 0.74 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.449 ' HG2' ' CB ' ' A' ' 63' ' ' LYS . 18.1 Cg_endo -75.02 -37.02 2.2 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.48 ' CD1' ' HD2' ' A' ' 62' ' ' LYS . 38.9 mm -62.07 -65.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.94 -55.65 7.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.955 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.2 ttt85 -47.35 -45.03 24.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -49.7 65.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.75 -45.29 82.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -58.62 -29.81 66.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.566 HD12 ' CD2' ' A' ' 75' ' ' TYR . 42.5 mt -78.28 -36.71 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.447 ' CB ' ' HA ' ' A' ' 23' ' ' GLU . 17.1 mm100 -67.52 -33.68 75.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.424 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 11.2 pt20 -84.65 -41.41 16.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.424 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -66.0 -29.35 69.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.1 mtt-85 -79.72 -19.49 48.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.1 mttt 67.13 27.76 8.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -95.83 -75.09 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.241 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.28 136.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.447 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 9.5 mt-10 -42.73 160.72 0.19 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.484 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.2 Cg_endo -74.98 148.67 35.69 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -113.1 104.38 12.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.578 ' CE2' ' HG2' ' A' ' 62' ' ' LYS . 95.9 m-85 -87.05 142.13 28.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -135.93 131.61 49.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.5 tp -77.26 123.36 26.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.471 ' CD1' HG13 ' A' ' 41' ' ' VAL . 15.1 mt -80.34 -61.15 2.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.36 167.98 8.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.501 ' HG2' ' CD2' ' A' ' 40' ' ' PHE . 1.2 mt-10 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.501 ' CD2' ' HG2' ' A' ' 31' ' ' GLU . 30.5 m-85 -118.99 123.98 45.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.471 HG13 ' CD1' ' A' ' 29' ' ' LEU . 20.5 t -88.84 119.16 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.433 ' HB2' ' CB ' ' A' ' 61' ' ' ALA . 4.4 tpt -117.05 148.61 41.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.418 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 9.0 tt0 -121.87 154.48 37.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.418 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 8.0 p -138.87 132.41 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -120.64 120.27 35.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.255 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.6 t -129.14 110.04 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.74 -108.33 1.51 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.16 24.69 12.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 0.777 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -127.53 156.84 41.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -142.71 154.82 17.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.418 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -151.95 175.31 12.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 p -143.52 157.6 44.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.422 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -144.94 151.06 23.27 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.115 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 47.4 p -137.09 149.69 47.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 110.401 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.87 -165.62 26.57 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -18.28 18.96 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.447 1.762 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -153.27 157.43 40.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 59' ' ' LYS . 4.9 ttmt -49.71 -48.97 49.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 58' ' ' LYS . 3.5 mmtp -39.36 -64.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 76.6 mt -60.61 -41.52 88.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.433 ' CB ' ' HB2' ' A' ' 42' ' ' MET . . . -48.22 -48.74 34.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.578 ' HG2' ' CE2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -57.53 -47.91 80.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' CB ' ' HG2' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -56.66 -41.68 77.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -67.24 -28.03 67.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.422 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -65.46 -51.49 59.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.5 98.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -51.09 -52.52 42.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.76 -40.93 89.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.474 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 41.2 tpp -62.27 -49.78 74.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.493 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 2.8 mt -62.42 -35.86 80.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.46 -38.4 87.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -39.05 62.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.5 mt -62.34 -30.24 71.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.52 33.88 4.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.566 ' CD2' HD12 ' A' ' 15' ' ' ILE . 8.6 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.542 0.79 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.419 ' HG2' ' CA ' ' A' ' 63' ' ' LYS . 18.3 Cg_endo -74.98 -32.26 5.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.49 ' CD1' ' HD2' ' A' ' 62' ' ' LYS . 41.3 mt -67.61 -73.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -38.27 -44.03 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.0 ttt85 -61.33 -49.16 78.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -65.23 -47.71 75.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.44 -42.8 78.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -61.79 -26.88 68.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.459 ' CD1' ' CD2' ' A' ' 70' ' ' LEU . 61.9 mt -81.69 -34.56 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.423 ' CB ' ' HA ' ' A' ' 23' ' ' GLU . 15.7 mm100 -70.42 -27.05 63.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.492 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 3.1 pt20 -91.18 -46.26 8.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.492 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -59.11 -34.24 71.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.447 ' NH1' ' OH ' ' A' ' 75' ' ' TYR . 2.4 mtt85 -79.22 -16.39 56.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.355 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.1 mttm 63.69 31.12 14.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 11.3 mm-40 -93.19 -69.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 1.0 OUTLIER 164.24 132.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.423 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 33.5 mt-10 -39.55 159.53 0.11 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.491 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.1 Cg_endo -75.04 147.7 34.12 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.538 1.809 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.27 105.22 15.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.561 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 60.5 m-85 -88.14 137.45 32.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -136.3 132.34 49.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.475 HD12 ' CG ' ' A' ' 58' ' ' LYS . 18.4 tp -79.1 123.19 27.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.1 mt -80.82 -61.6 1.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.232 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 t -168.74 175.91 5.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.01 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 31' ' ' GLU . 43.7 m-85 -128.82 139.32 52.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.3 t -100.17 136.07 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.41 149.55 52.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -124.6 152.36 43.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 110.305 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.512 ' CG1' ' CB ' ' A' ' 51' ' ' ALA . 12.7 p -138.15 132.1 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -121.93 118.39 28.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.491 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.3 t -127.37 110.12 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.43 -104.94 0.62 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -117.06 24.71 11.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 0.787 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -126.36 154.7 43.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -139.41 152.75 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.512 ' CB ' ' CG1' ' A' ' 44' ' ' VAL . . . -148.8 169.02 21.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.9 p -136.53 156.18 48.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.413 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -143.19 154.29 25.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 111.044 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 73.5 p -147.01 145.92 29.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 0.807 . . . . 0.0 110.418 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -162.56 -166.69 21.78 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.526 1.142 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -24.12 13.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 16.3 p30 -140.15 168.07 20.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.475 ' CG ' HD12 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -57.11 -50.2 73.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.435 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -40.88 -76.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.473 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 51.4 mt -45.11 -50.13 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.1 -33.67 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.561 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -75.14 -44.33 47.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.419 ' CA ' ' HG2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -61.16 -41.05 96.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -63.68 -31.27 72.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.413 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -61.86 -56.68 16.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.61 -40.06 74.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.443 ' HG2' ' CD1' ' A' ' 71' ' ' LEU . 15.6 tt0 -54.21 -55.3 29.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.32 -46.55 72.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.479 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 37.8 tpp -55.52 -46.53 77.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.459 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 1.1 mt -71.42 -28.74 64.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.443 ' CD1' ' HG2' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -73.76 -40.58 63.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.44 -38.76 65.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.248 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.584 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 2.8 mp -60.77 -45.47 94.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 117.5 30.8 1.78 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 77.8 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.742 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -30.94 6.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.459 1.768 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 12' ' ' LEU . 41.3 mt -66.9 -73.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -38.67 -46.86 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.968 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -58.06 -47.25 83.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -65.59 -49.84 67.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.084 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.31 -45.07 80.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -59.92 -29.53 68.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.527 ' CD1' ' CD2' ' A' ' 70' ' ' LEU . 39.8 mt -77.77 -36.1 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.441 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 18.1 mm100 -68.39 -34.59 76.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 12.9 pt20 -84.45 -45.48 12.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.479 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -60.07 -31.89 70.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.435 ' HD2' ' CG2' ' A' ' 15' ' ' ILE . 3.9 mtt-85 -78.9 -18.78 53.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.9 mttm 66.22 34.9 6.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 5.9 mm-40 -101.79 -72.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER 169.54 133.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.43 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 0.7 OUTLIER -42.0 160.79 0.17 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.487 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.5 Cg_endo -74.95 151.97 40.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.83 104.92 12.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.36 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.556 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 76.5 m-85 -87.97 137.85 31.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -133.58 126.75 52.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.474 ' CD2' ' HG3' ' A' ' 58' ' ' LYS . 2.4 tm? -77.23 113.76 15.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.5 mt -70.9 -61.04 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.3 -165.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.55 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.55 ' CD2' ' HB3' ' A' ' 31' ' ' GLU . 12.6 m-85 -105.34 127.11 52.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.8 t -93.23 121.54 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.22 146.33 45.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -121.64 153.93 37.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.476 ' CG1' ' CB ' ' A' ' 51' ' ' ALA . 13.0 p -139.56 132.78 36.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -120.35 121.34 38.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.487 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.5 t -130.23 109.81 18.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.04 -107.69 1.17 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.426 1.079 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -113.98 26.69 10.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.282 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -129.72 157.44 42.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -141.56 154.68 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.476 ' CB ' ' CG1' ' A' ' 44' ' ' VAL . . . -150.28 172.51 15.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 p -140.66 158.26 44.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.423 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -146.63 145.86 15.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.2 p -132.21 153.22 50.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.777 . . . . 0.0 110.402 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -171.31 -168.08 32.46 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.448 1.092 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -25.76 11.49 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 16.9 p30 -139.84 168.47 19.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.48 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -57.06 -51.19 70.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 62' ' ' LYS . 9.6 mtmt -40.13 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.473 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 45.2 mt -44.14 -55.11 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.25 -33.41 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.556 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -71.04 -47.09 60.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -58.21 -44.97 88.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -61.33 -29.38 69.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.357 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.423 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -64.07 -54.71 29.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.07 -41.43 78.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -51.21 -60.01 3.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.42 -50.26 52.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.477 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 34.9 tpp -50.95 -49.15 60.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.527 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 5.0 mt -63.49 -38.74 92.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -40.81 97.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.243 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -39.53 64.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.561 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -59.21 -45.85 89.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.3 34.45 1.02 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 75.2 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -31.18 6.55 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.446 1.761 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.47 ' CD1' ' HA ' ' A' ' 63' ' ' LYS . 10.7 mm -63.28 -68.36 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.12 -54.47 6.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.99 -45.05 4.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.77 -47.97 64.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.77 -40.37 75.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -64.83 -26.31 68.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.491 HG22 ' CZ ' ' A' ' 75' ' ' TYR . 56.8 mt -82.32 -33.19 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.466 ' CB ' ' HA ' ' A' ' 23' ' ' GLU . 16.0 mm100 -70.86 -27.8 64.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.474 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 13.8 pt20 -89.35 -44.74 9.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.474 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -62.27 -29.47 70.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -81.59 -19.07 42.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.261 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.4 mttt 66.15 27.72 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 6.6 mm-40 -93.1 -74.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 170.21 135.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.466 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -41.63 159.79 0.17 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.485 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -74.98 147.14 33.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.522 1.801 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.12 104.33 13.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.596 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 85.6 m-85 -87.8 135.34 33.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mp -130.23 133.87 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.424 HD11 ' N ' ' A' ' 30' ' ' SER . 2.8 tm? -82.04 111.73 18.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.459 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 17.2 mt -68.03 -62.36 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.424 ' N ' HD11 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -170.98 -176.58 2.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 2.1 pm0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CD2' ' HD2' ' A' ' 58' ' ' LYS . 54.0 m-85 -124.97 151.72 45.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 29' ' ' LEU . 25.3 t -111.42 126.2 68.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.3 tpt -122.89 145.97 47.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 9.8 tt0 -124.01 153.68 40.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.508 ' CG1' ' CB ' ' A' ' 51' ' ' ALA . 10.4 p -138.47 133.21 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -122.39 119.85 32.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.485 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.3 t -130.74 109.98 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.76 -108.96 1.76 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.497 1.123 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -112.83 24.47 12.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.95 155.32 43.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -141.78 154.0 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.508 ' CB ' ' CG1' ' A' ' 44' ' ' VAL . . . -149.73 172.87 14.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.8 p -143.47 160.03 41.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 0.0 110.387 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.436 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -148.96 152.74 24.72 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.3 p -138.62 150.17 45.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 0.777 . . . . 0.0 110.34 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.09 -173.19 37.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -22.47 14.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -141.96 154.23 44.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.57 ' HD2' ' CD2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -44.08 -52.73 6.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.91 -76.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.414 HG22 ' ND2' ' A' ' 64' ' ' ASN . 44.9 mt -43.54 -43.77 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.21 -55.92 13.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.596 ' HG2' ' CE1' ' A' ' 26' ' ' TYR . 3.1 ttmm -56.57 -47.39 79.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.47 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -52.88 -43.12 65.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.414 ' ND2' HG22 ' A' ' 60' ' ' ILE . 3.5 m-80 -69.71 -27.72 65.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.436 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -66.46 -54.1 27.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.362 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.29 97.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -52.42 -50.99 61.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.78 98.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.458 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 27.5 tpp -58.59 -41.46 85.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.412 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 1.9 mt -72.35 -27.77 62.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.89 -40.39 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -41.63 64.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.573 ' HB3' ' CD2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -57.64 -47.48 82.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.358 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.54 34.71 0.91 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.128 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.573 ' CD2' ' HB3' ' A' ' 73' ' ' LEU . 77.4 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.753 . . . . 0.0 110.978 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.47 4.59 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.475 ' CD1' ' HD2' ' A' ' 62' ' ' LYS . 33.6 mt -68.54 -73.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.33 -45.93 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.4 ' NH2' ' O ' ' A' ' 75' ' ' TYR . 13.2 ttt180 -57.88 -44.0 86.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -70.03 -48.76 56.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.01 -46.73 75.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -58.74 -29.2 66.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.575 HD11 ' CD2' ' A' ' 75' ' ' TYR . 53.7 mt -77.3 -37.09 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.444 ' CB ' ' HA ' ' A' ' 23' ' ' GLU . 19.3 mm100 -67.5 -35.87 79.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 1.6 pt20 -82.22 -45.28 15.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.479 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -60.9 -31.81 71.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -78.48 -15.24 58.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 mttt 63.56 29.62 15.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 6.1 mm-40 -95.99 -71.4 0.67 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 4.4 tttp 166.19 132.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.444 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 2.8 mt-10 -39.84 160.53 0.11 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.471 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -75.0 150.91 38.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.769 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.68 105.39 14.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.527 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 63.0 m-85 -88.42 136.13 33.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -135.43 129.29 49.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.423 ' CD2' ' HG3' ' A' ' 58' ' ' LYS . 2.3 tm? -77.08 111.76 13.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.476 ' CD2' ' HB2' ' A' ' 43' ' ' GLN . 8.6 mt -65.42 -64.84 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.3 -168.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.993 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.418 ' OE1' ' CE2' ' A' ' 40' ' ' PHE . 11.3 mt-10 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.338 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 57' ' ' ASN . 24.7 m-85 -110.91 126.44 54.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.433 HG13 ' CD1' ' A' ' 29' ' ' LEU . 22.0 t -91.62 123.35 43.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.66 146.83 45.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.476 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 7.5 tt0 -121.72 151.35 40.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.469 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 12.8 p -139.05 130.73 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.459 ' HG3' ' CG2' ' A' ' 50' ' ' VAL . 0.6 OUTLIER -117.55 118.49 32.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.472 ' HB ' ' CE ' ' A' ' 69' ' ' MET . 2.6 t -125.09 110.01 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.46 -107.32 1.08 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -114.1 25.86 10.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -129.35 157.95 40.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.336 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.459 ' CG2' ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -143.1 151.22 17.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.469 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -148.15 170.05 18.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 p -133.85 157.11 46.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.341 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.9 140.94 9.52 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.477 1.11 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.5 p -131.0 161.3 32.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.73 -158.53 21.43 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.416 ' CG ' HD11 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -75.03 -36.98 2.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.772 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.461 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 0.4 OUTLIER -135.45 176.2 8.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 59' ' ' LYS . 2.1 ttmm -60.19 -51.93 67.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -36.97 -78.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 63' ' ' LYS . 64.9 mt -46.5 -54.27 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.72 -32.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.527 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -74.43 -46.98 36.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -56.84 -42.87 80.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -63.86 -31.84 73.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.02 -48.91 79.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.42 -42.32 92.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -55.15 -51.29 66.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.26 -40.21 81.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.472 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 36.9 tpp -62.24 -52.91 61.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.449 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 1.8 mt -58.68 -38.01 77.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.78 -39.96 79.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.424 ' OE1' ' SD ' ' A' ' 69' ' ' MET . 1.4 pt20 -71.59 -28.13 63.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.33 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.4 mt -76.59 -27.29 55.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.03 35.41 5.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.575 ' CD2' HD11 ' A' ' 15' ' ' ILE . 5.7 m-85 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -29.91 7.82 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 12' ' ' LEU . 43.1 mt -68.83 -74.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 t -40.95 -52.57 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -50.19 -40.28 46.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -71.15 -48.3 52.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.24 -44.72 84.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -59.66 -30.06 68.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.568 HD11 ' CD2' ' A' ' 75' ' ' TYR . 56.7 mt -76.99 -37.03 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.43 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 18.1 mm100 -66.35 -36.11 82.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.473 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 2.4 pt20 -82.86 -45.4 14.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.473 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -60.15 -31.54 70.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -79.52 -18.53 51.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mttm 65.81 33.52 8.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 28.6 mm-40 -100.03 -72.41 0.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 169.84 133.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -42.56 159.64 0.2 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.464 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.1 Cg_endo -75.03 148.45 35.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.452 1.764 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.07 102.11 11.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.611 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 58.7 m-85 -88.85 134.64 33.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mp -132.35 167.34 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.421 HD13 ' N ' ' A' ' 30' ' ' SER . 2.3 tm? -110.95 112.04 23.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.2 mt -69.98 -61.99 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.421 ' N ' HD13 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -168.1 -172.39 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.001 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.533 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 13.2 pt-20 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.533 ' CD1' ' HB3' ' A' ' 31' ' ' GLU . 18.7 m-85 -122.04 130.09 52.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.4 t -93.79 128.91 44.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.401 ' SD ' ' CD2' ' A' ' 28' ' ' LEU . 2.4 tpt -125.64 139.91 53.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -113.7 155.52 25.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 7.0 p -141.94 129.43 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.409 ' HG3' ' CG2' ' A' ' 50' ' ' VAL . 4.2 ttmt -116.89 117.44 29.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.5 t -123.82 110.28 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.01 -107.88 1.23 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -113.41 26.62 10.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -130.06 157.46 42.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.409 ' CG2' ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -142.57 151.17 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.461 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -148.62 168.77 21.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 p -138.86 158.37 44.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.422 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -152.03 150.87 22.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.7 p -130.03 164.64 23.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 110.429 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -179.06 -179.78 48.77 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HG2' ' CD1' ' A' ' 60' ' ' ILE . 18.2 Cg_endo -74.98 -10.49 21.28 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -154.17 151.73 29.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.464 ' HD2' ' CD1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -45.33 -45.5 12.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.84 -70.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.412 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 59.1 mt -51.76 -45.96 38.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.26 -59.9 2.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.611 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -50.17 -53.11 30.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -50.07 -45.58 52.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -61.85 -32.87 73.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.422 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -64.81 -49.06 72.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.86 97.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -57.64 -48.74 78.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.72 -42.89 89.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.46 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 39.8 tpp -59.66 -56.14 25.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.458 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 4.0 mt -53.45 -42.49 67.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.28 -39.32 89.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.423 ' OE1' ' SD ' ' A' ' 69' ' ' MET . 1.0 OUTLIER -72.33 -25.44 61.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.6 mt -77.17 -29.93 54.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.64 35.55 4.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.568 ' CD2' HD11 ' A' ' 15' ' ' ILE . 5.3 m-85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.77 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -32.12 5.7 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.526 1.803 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.479 ' CD1' ' HA ' ' A' ' 63' ' ' LYS . 14.9 mm -63.34 -67.94 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.49 -55.98 4.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.004 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.36 -47.65 6.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.502 ' CD2' ' OE1' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -66.68 -49.53 65.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.44 -43.97 72.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -62.54 -27.83 69.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.501 ' CD1' ' CD2' ' A' ' 70' ' ' LEU . 38.3 mt -80.45 -32.48 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.502 ' OE1' ' CD2' ' A' ' 12' ' ' LEU . 14.2 mm100 -71.57 -31.04 66.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.463 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 12.6 pt20 -85.83 -44.1 12.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.463 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -63.4 -32.12 73.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -77.84 -19.04 55.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.5 mttt 66.94 25.28 9.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 47.9 mm-40 -91.31 -74.66 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 169.48 134.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.464 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 3.6 mt-10 -39.94 160.23 0.11 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.486 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -75.0 145.44 31.45 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.14 101.0 10.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.652 ' CD1' ' CG ' ' A' ' 62' ' ' LYS . 73.6 m-85 -88.87 129.34 35.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.409 ' O ' ' SD ' ' A' ' 42' ' ' MET . 2.4 mp -127.04 167.7 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.411 ' CD2' ' SD ' ' A' ' 42' ' ' MET . 2.5 tm? -109.27 110.67 21.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.476 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 6.5 mt -70.76 -52.08 23.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.415 ' C ' ' OE1' ' A' ' 31' ' ' GLU . 0.4 OUTLIER 176.61 -170.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.415 ' OE1' ' C ' ' A' ' 30' ' ' SER . 3.9 pm0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -111.01 126.21 54.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 29' ' ' LEU . 3.2 t -88.68 124.94 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.411 ' SD ' ' CD2' ' A' ' 28' ' ' LEU . 4.4 tpt -124.78 151.61 44.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.475 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 10.1 tt0 -127.07 158.2 37.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.458 ' CG1' ' CB ' ' A' ' 51' ' ' ALA . 14.2 p -142.74 130.33 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -119.23 118.54 31.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.486 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.1 t -129.88 109.92 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.87 -111.89 3.39 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -109.61 24.86 12.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 0.792 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -127.96 155.02 44.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -142.25 154.14 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.458 ' CB ' ' CG1' ' A' ' 44' ' ' VAL . . . -150.87 174.02 13.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 p -144.45 157.69 44.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.453 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.416 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -141.81 149.9 21.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.539 1.149 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.8 p -136.93 135.08 37.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 0.732 . . . . 0.0 110.38 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -158.95 -175.64 30.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -21.95 15.4 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 5.9 p-10 -141.09 142.93 34.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 57' ' ' ASN . 12.0 ttmt -39.66 -43.86 1.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.25 -65.07 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 77.2 mt -58.46 -35.75 55.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.94 -55.48 23.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.652 ' CG ' ' CD1' ' A' ' 26' ' ' TYR . 5.0 ttmm -57.94 -48.84 78.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.479 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 1.1 mtmt -52.58 -50.68 62.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -61.04 -27.69 68.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.416 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -69.81 -55.55 9.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.3 -41.35 84.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -55.85 -50.55 70.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.9 80.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.479 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 25.3 tpp -65.6 -39.55 91.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.501 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 1.7 mt -73.09 -25.1 60.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.56 -39.99 64.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -36.59 75.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.553 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 2.4 mp -62.63 -48.65 78.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.97 33.75 1.04 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 76.8 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -31.97 5.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.448 1.762 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.6 mt -68.95 -74.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 t -38.98 -50.95 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.982 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.9 ttt85 -53.47 -48.55 68.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -44.14 97.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.53 98.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -59.63 -31.29 69.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.544 HD11 ' CD2' ' A' ' 75' ' ' TYR . 24.9 mt -76.46 -39.47 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.377 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.424 ' NE2' ' CG1' ' A' ' 46' ' ' VAL . 3.8 mm-40 -64.76 -36.77 85.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -81.17 -39.95 24.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.16 -26.79 64.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -79.92 -18.8 49.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mttt 68.07 23.44 8.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 6.7 mm-40 -90.23 -78.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.421 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 0.0 OUTLIER 174.84 131.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 22' ' ' LYS . 1.8 mt-10 -38.93 158.36 0.11 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.49 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -74.98 147.09 33.53 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.545 1.813 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -109.45 105.41 14.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.58 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 56.2 m-85 -88.0 135.56 33.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -134.51 134.19 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.446 HD13 ' CE ' ' A' ' 58' ' ' LYS . 12.1 tp -83.74 113.52 20.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.46 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 16.2 mt -68.96 -62.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.9 t -169.4 -178.51 3.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 2.2 pm0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -129.16 124.5 34.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' A' ' 29' ' ' LEU . 40.6 t -88.99 130.87 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.1 149.53 49.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -126.57 152.29 46.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.222 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 51' ' ' ALA . 13.1 p -139.53 130.05 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.87 118.11 32.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.49 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 20.4 t -126.5 109.99 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.34 -109.54 1.99 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -112.31 24.94 12.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -128.74 157.14 42.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -141.89 151.57 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.473 ' HB2' ' CG1' ' A' ' 44' ' ' VAL . . . -146.17 169.39 18.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 p -137.19 154.71 50.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.432 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -140.83 151.45 22.44 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 34.6 p -137.3 154.52 50.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 0.0 110.442 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.67 -172.32 42.89 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.11 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -30.57 7.0 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.484 1.781 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.09 161.38 34.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.348 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.446 ' CE ' HD13 ' A' ' 28' ' ' LEU . 8.4 ttmt -51.74 -48.38 63.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.5 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.3 mt -47.56 -50.18 8.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.91 -41.07 23.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.58 ' HD3' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.32 -50.26 41.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.37 -43.23 61.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -65.79 -33.74 76.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.432 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -60.26 -49.23 78.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.72 -41.47 99.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -53.44 -56.87 13.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.343 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.69 -47.85 63.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.466 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 30.8 tpp -54.16 -52.43 61.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.529 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 2.4 mt -62.02 -35.51 78.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.67 -38.38 89.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -38.61 62.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.14 -35.25 78.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.28 33.98 3.27 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.544 ' CD2' HD11 ' A' ' 15' ' ' ILE . 6.0 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -35.21 3.25 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 110.956 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.401 HD12 ' OH ' ' A' ' 26' ' ' TYR . 39.3 mm -62.55 -68.99 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.3 -51.15 11.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -49.02 -48.7 43.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.424 ' CD1' HG22 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -63.2 -42.52 99.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.71 97.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -62.1 -30.59 71.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.58 HD12 ' CD2' ' A' ' 75' ' ' TYR . 33.0 mt -76.05 -38.69 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.41 ' OE1' ' O ' ' A' ' 22' ' ' LYS . 4.3 mm-40 -66.55 -35.57 80.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.78 -38.87 22.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.52 -26.81 63.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 49.4 mtt180 -80.54 -18.15 49.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 10.7 mttt 69.55 18.8 7.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 22.3 mm-40 -85.07 -80.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 1.3 tptt 176.88 132.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -39.13 157.5 0.12 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.503 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -75.01 146.75 32.98 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -108.34 105.65 15.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.427 ' HA ' ' O ' ' A' ' 43' ' ' GLN . 84.9 m-85 -88.34 130.73 35.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 mp -128.34 129.52 69.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.453 ' CD2' ' HG3' ' A' ' 58' ' ' LYS . 2.9 tm? -78.11 115.07 17.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.455 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 13.4 mt -72.27 -63.42 1.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 96.1 p -169.41 -175.39 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.602 ' OE1' ' CE2' ' A' ' 40' ' ' PHE . 43.8 mt-10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.602 ' CE2' ' OE1' ' A' ' 31' ' ' GLU . 6.9 m-85 -101.83 133.07 47.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.455 ' CG1' ' HB2' ' A' ' 29' ' ' LEU . 21.8 t -98.53 119.03 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.81 144.35 44.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.427 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 7.4 tt0 -120.2 149.92 41.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.468 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 7.8 p -136.31 128.77 45.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.73 117.03 29.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.503 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 12.3 t -125.85 109.95 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.76 -110.89 2.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.9 25.84 11.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -130.22 157.54 42.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -141.23 153.68 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.468 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -147.9 169.43 19.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.3 p -135.29 158.1 45.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.426 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -145.93 142.16 10.35 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 72.1 p -132.03 152.59 51.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 0.783 . . . . 0.0 110.393 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -173.24 -170.08 36.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -18.48 18.68 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.473 1.775 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 14.7 p30 -149.55 158.81 44.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.453 ' HG3' ' CD2' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -46.66 -56.47 6.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' LYS . 11.8 mtmt -37.69 -76.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.454 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 96.7 mt -44.2 -49.76 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.41 -43.21 33.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -46.83 78.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.35 -42.34 73.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -71.37 -24.24 62.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.426 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -68.05 -50.49 54.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.09 89.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.326 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -56.25 -65.08 0.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.86 -49.81 5.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.471 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 18.4 tpp -50.95 -51.25 54.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.473 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 1.4 mt -59.56 -50.09 75.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.35 -42.79 61.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -38.16 78.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.551 ' HB3' ' CE1' ' A' ' 75' ' ' TYR . 90.2 mt -68.42 -22.78 64.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.58 41.4 6.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.102 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.58 ' CD2' HD12 ' A' ' 15' ' ' ILE . 5.5 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -29.08 8.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.784 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.2 mt -67.09 -73.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.85 -50.32 10.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.479 ' HD3' ' CD2' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -51.39 -60.71 2.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -45.54 67.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 17' ' ' GLN . . . -60.11 -44.76 94.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -59.86 -31.41 69.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.571 HD11 ' CD2' ' A' ' 75' ' ' TYR . 58.9 mt -72.82 -39.0 58.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.466 ' CB ' ' HA ' ' A' ' 23' ' ' GLU . 17.9 mm100 -60.65 -28.65 68.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 13' ' ' ALA . 1.0 OUTLIER -89.35 -46.05 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.73 -29.09 62.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -84.71 -19.86 32.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 mttt 67.75 31.59 5.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.512 ' O ' ' CD ' ' A' ' 22' ' ' LYS . 6.0 mm-40 -96.36 -75.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.512 ' CD ' ' O ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER 173.07 135.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.466 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 1.6 mt-10 -43.7 160.38 0.22 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -74.98 147.14 33.61 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.534 1.807 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.26 104.76 14.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.564 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 82.2 m-85 -87.95 134.11 33.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.5 mp -132.22 127.26 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.455 ' CD2' ' HG3' ' A' ' 58' ' ' LYS . 1.7 tm? -76.98 114.13 15.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.57 -59.77 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.09 -170.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.566 ' HG3' ' CE2' ' A' ' 40' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.566 ' CE2' ' HG3' ' A' ' 31' ' ' GLU . 12.5 m-85 -109.6 124.93 51.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.1 t -89.38 128.48 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.34 144.08 50.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 8.2 tt0 -120.07 151.81 38.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.463 ' CG1' ' CB ' ' A' ' 51' ' ' ALA . 11.1 p -137.9 131.14 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.57 117.48 28.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.6 t -126.01 110.28 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.55 -107.91 1.32 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -113.96 25.25 11.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -128.6 157.02 42.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -141.08 154.29 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.463 ' CB ' ' CG1' ' A' ' 44' ' ' VAL . . . -148.81 168.2 23.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.3 p -136.15 157.13 47.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.432 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.438 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -146.85 151.42 23.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 39.6 p -136.46 152.23 50.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 0.746 . . . . 0.0 110.385 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.49 -175.94 40.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -13.17 21.54 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 19.3 p30 -150.04 167.72 25.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.455 ' HG3' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -56.83 -48.8 77.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.435 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -43.15 -76.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.453 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 55.6 mt -46.6 -50.91 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.87 -38.5 10.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.564 ' HD3' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -73.91 -45.48 50.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -46.24 70.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -63.46 -36.08 82.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.438 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -62.84 -47.44 83.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.07 -38.43 88.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 70' ' ' LEU . 26.5 tt0 -59.12 -66.44 0.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.62 -49.83 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.472 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 29.4 tpp -50.54 -44.92 56.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.479 ' CD2' ' HD3' ' A' ' 11' ' ' ARG . 3.5 mt -71.33 -46.64 60.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.414 ' N ' ' CD2' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -54.37 -45.34 72.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -44.85 77.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.57 ' HB3' ' CD1' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -52.9 -42.95 65.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.9 39.48 1.71 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.571 ' CD2' HD11 ' A' ' 15' ' ' ILE . 6.1 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 111.051 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.413 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.96 -32.15 5.67 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.4 mt -66.97 -73.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.13 -56.14 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.454 ' CD ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -45.6 -60.29 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -51.59 -43.51 62.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.71 -42.02 87.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -62.74 -27.65 69.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.561 HD11 ' CE2' ' A' ' 75' ' ' TYR . 97.3 mt -79.28 -35.63 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.461 ' CB ' ' HA ' ' A' ' 23' ' ' GLU . 14.9 mm100 -69.5 -29.45 67.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.449 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 12.0 pt20 -89.02 -43.03 11.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.449 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -63.33 -32.33 73.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -77.37 -18.87 56.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.4 mttt 68.81 27.36 5.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 51.6 mm-40 -94.35 -75.6 0.51 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.257 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 167.98 135.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.461 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 2.6 mt-10 -39.39 159.47 0.11 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.487 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.1 Cg_endo -75.03 145.25 31.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.812 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.14 105.04 15.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.598 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 84.1 m-85 -88.01 138.93 31.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mp -135.45 132.46 51.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.466 ' CD1' ' HG2' ' A' ' 58' ' ' LYS . 13.7 tp -79.95 119.56 22.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.475 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 15.0 mt -76.33 -58.1 3.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 m -171.43 -173.63 1.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.995 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.566 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 53.8 m-85 -101.42 125.43 48.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.092 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.475 ' CG1' ' HB2' ' A' ' 29' ' ' LEU . 14.4 t -90.77 128.84 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.43 ' SD ' ' CD1' ' A' ' 28' ' ' LEU . 2.5 tpt -125.21 147.61 48.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 10.1 tt0 -125.45 154.94 41.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.422 ' CG1' ' HB2' ' A' ' 51' ' ' ALA . 7.9 p -140.84 131.2 27.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -121.41 126.54 49.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.535 ' CG2' ' SD ' ' A' ' 69' ' ' MET . 22.5 t -135.22 109.55 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.76 -96.26 0.18 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -123.8 0.51 8.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 0.738 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -100.88 156.75 17.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 110.246 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -144.47 153.96 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.422 ' HB2' ' CG1' ' A' ' 44' ' ' VAL . . . -150.21 171.14 17.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 p -140.46 160.13 40.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.432 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -148.65 146.96 17.03 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.6 p -136.92 148.2 46.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 110.389 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.13 -168.24 29.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -20.13 17.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.408 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -147.71 159.68 43.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.566 ' HG3' ' CD1' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -50.09 -51.59 41.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -40.34 -70.46 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 93.8 mt -52.91 -41.61 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.82 -58.39 6.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.598 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -53.64 -50.7 65.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.51 -43.48 35.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -67.49 -33.54 75.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.432 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -60.54 -55.45 33.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.3 -41.43 68.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.417 ' HG2' ' CD1' ' A' ' 71' ' ' LEU . 12.1 tt0 -55.26 -62.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.45 -47.17 9.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.535 ' SD ' ' CG2' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -56.12 -53.47 56.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 110.993 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.46 ' CD2' HD13 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -64.87 -33.44 76.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.417 ' CD1' ' HG2' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -66.83 -38.66 86.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.41 -38.82 62.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 69.9 mt -64.45 -32.04 73.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.18 33.42 4.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.561 ' CE2' HD11 ' A' ' 15' ' ' ILE . 5.7 m-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.462 ' HG2' ' HG3' ' A' ' 63' ' ' LYS . 18.3 Cg_endo -75.04 -25.71 11.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.451 1.764 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 63' ' ' LYS . 14.4 mm -73.69 -67.66 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.31 -55.03 5.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.959 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -45.33 -40.81 8.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.48 ' CD2' ' OE1' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -73.49 -48.06 36.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.57 -42.71 75.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -62.29 -26.24 68.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.572 HD12 ' CD2' ' A' ' 75' ' ' TYR . 63.5 mt -82.84 -33.52 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.48 ' OE1' ' CD2' ' A' ' 12' ' ' LEU . 14.0 mm100 -69.69 -24.93 63.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.46 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -91.04 -43.56 9.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.46 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -64.28 -32.24 73.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -78.94 -18.12 54.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 mttt 64.13 29.71 13.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 6.1 mm-40 -94.5 -71.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 165.24 137.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.417 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 51.7 mt-10 -39.27 159.35 0.11 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.477 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.5 Cg_endo -74.96 144.23 30.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.55 102.15 13.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 109.27 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.651 ' CD1' ' CG ' ' A' ' 62' ' ' LYS . 60.1 m-85 -90.88 118.72 30.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.4 mp -119.44 172.37 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 tp -112.81 117.38 32.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.464 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 10.3 mt -73.99 -56.59 4.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -171.76 -177.91 2.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.448 ' CD1' ' HA ' ' A' ' 57' ' ' ASN . 32.3 m-85 -113.5 122.43 47.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 29' ' ' LEU . 7.2 t -90.39 131.67 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.8 tpt -129.63 138.55 51.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.431 ' HG3' ' CG2' ' A' ' 52' ' ' THR . 9.5 tt0 -110.47 155.12 22.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.248 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.541 ' CG1' ' CB ' ' A' ' 51' ' ' ALA . 13.5 p -137.54 125.71 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.361 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -116.89 116.02 26.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.477 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.1 t -128.06 110.04 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.58 -113.55 4.7 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -107.92 24.54 12.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -127.83 153.77 46.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -140.96 153.76 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.541 ' CB ' ' CG1' ' A' ' 44' ' ' VAL . . . -150.57 173.05 14.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.431 ' CG2' ' HG3' ' A' ' 43' ' ' GLN . 1.4 p -147.57 155.89 42.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.41 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.422 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -152.92 148.67 19.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 72.4 p -137.24 149.02 46.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -158.96 -161.41 11.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.562 1.163 . . . . 0.0 111.049 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -16.03 20.34 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.478 ' ND2' ' N ' ' A' ' 57' ' ' ASN . 0.3 OUTLIER -156.33 157.87 36.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -49.84 -50.07 46.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.85 -63.92 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 17.9 mt -60.47 -37.28 74.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.35 -56.28 13.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.651 ' CG ' ' CD1' ' A' ' 26' ' ' TYR . 4.3 ttmm -52.52 -41.25 63.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.484 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -61.72 -42.71 99.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -68.5 -24.64 64.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.422 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -74.75 -52.42 11.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.44 -34.33 72.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -62.1 -62.79 1.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.237 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.87 -41.99 16.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.465 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 26.1 tpp -56.9 -48.75 77.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.9 mt -59.65 -44.11 93.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -57.15 -40.47 77.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -37.45 68.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.77 -40.36 95.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.98 36.06 2.43 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.456 1.098 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.572 ' CD2' HD12 ' A' ' 15' ' ' ILE . 19.4 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -28.33 9.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.2 mm -65.12 -69.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.34 -54.82 15.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.011 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.2 ttt85 -44.07 -52.99 6.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -43.0 99.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.37 -39.98 89.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -64.16 -28.87 70.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.252 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.563 HD12 ' CD2' ' A' ' 75' ' ' TYR . 50.2 mt -78.39 -36.35 20.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.422 ' NE2' HG13 ' A' ' 46' ' ' VAL . 3.8 mm-40 -66.36 -35.44 80.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.484 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 5.3 pt20 -79.43 -45.38 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.484 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -64.1 -30.41 71.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.3 mtt-85 -77.15 -18.45 57.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.25 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.7 mttt 66.19 30.13 9.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 8.0 mm-40 -96.21 -73.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 163.58 138.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 22' ' ' LYS . 5.5 mt-10 -37.89 155.72 0.1 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.463 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -75.01 143.91 29.58 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.99 105.75 17.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.578 ' CD1' ' HG3' ' A' ' 62' ' ' LYS . 85.5 m-85 -89.91 129.0 36.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.5 mp -123.62 164.88 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.415 HD11 ' N ' ' A' ' 30' ' ' SER . 2.5 tm? -108.5 110.79 22.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.479 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 9.5 mt -70.2 -59.75 2.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.415 ' N ' HD11 ' A' ' 28' ' ' LEU . 3.7 t -170.41 -166.6 0.54 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 110.028 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.468 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -127.2 129.79 48.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 29' ' ' LEU . 20.0 t -91.23 126.75 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.0 tpt -127.53 129.88 48.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -102.51 155.14 18.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 9.1 p -141.46 127.59 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.424 ' HG3' ' CG2' ' A' ' 50' ' ' VAL . 2.0 ttmt -111.3 125.03 53.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.478 ' HB ' ' CE ' ' A' ' 69' ' ' MET . 4.3 t -128.61 110.24 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.97 -101.85 0.3 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.474 1.108 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -120.18 24.65 10.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -127.93 162.0 27.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.265 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.424 ' CG2' ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -145.2 150.42 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.463 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -146.47 166.58 25.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 p -133.97 152.4 51.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.408 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -149.53 151.09 23.25 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.3 p -134.32 159.49 40.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -167.94 -172.71 35.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -9.51 20.7 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.541 1.811 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -159.81 152.38 21.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.322 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -44.12 -51.49 7.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.41 -69.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.9 mt -54.48 -38.02 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.41 -56.88 9.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.578 ' HG3' ' CD1' ' A' ' 26' ' ' TYR . 5.0 ttmm -55.79 -34.56 65.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -38.02 89.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -74.86 -26.34 59.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.408 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -64.9 -55.5 18.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.5 -46.56 80.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.403 ' O ' HD23 ' A' ' 71' ' ' LEU . 22.7 tt0 -46.51 -64.42 0.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.67 -61.06 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.478 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 29.7 tpp -39.52 -53.15 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.449 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 3.2 mt -55.97 -48.86 75.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -59.52 -42.65 92.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.416 ' OE1' ' SD ' ' A' ' 69' ' ' MET . 0.7 OUTLIER -67.41 -30.78 70.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 69' ' ' MET . 62.1 mt -74.62 -34.05 62.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.41 40.17 2.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.563 ' CD2' HD12 ' A' ' 15' ' ' ILE . 5.4 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.46 ' HG2' ' CA ' ' A' ' 63' ' ' LYS . 18.2 Cg_endo -75.05 -28.85 8.73 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.467 1.772 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 63' ' ' LYS . 18.7 mm -62.73 -66.24 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.65 -55.95 21.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -41.9 -37.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -49.39 17.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.43 -41.83 85.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -60.05 -30.34 69.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.294 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.512 HG23 ' CZ ' ' A' ' 75' ' ' TYR . 59.4 mt -77.67 -38.33 25.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.493 ' CB ' ' HA ' ' A' ' 23' ' ' GLU . 19.2 mm100 -65.96 -38.99 90.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.427 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 11.8 pt20 -77.44 -41.81 38.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.427 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -66.42 -26.28 67.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -81.2 -20.65 40.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt 67.25 29.93 7.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 31.7 mm-40 -100.27 -77.25 0.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.357 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 1.5 tppt? 179.59 132.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.493 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 0.9 OUTLIER -46.08 162.48 0.24 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.493 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.2 Cg_endo -74.95 146.09 32.46 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.01 105.31 14.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.569 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 61.5 m-85 -87.42 135.11 33.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.15 . . . . 0.0 111.022 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -133.87 130.19 55.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.474 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 13.1 tp -78.54 117.43 19.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.464 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 14.3 mt -73.89 -62.49 1.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -166.42 -175.36 3.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.472 ' HG2' ' CD2' ' A' ' 40' ' ' PHE . 68.5 mt-10 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.472 ' CD2' ' HG2' ' A' ' 31' ' ' GLU . 24.2 m-85 -96.89 120.5 37.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 29' ' ' LEU . 21.8 t -89.4 125.66 42.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.94 148.71 45.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 9.6 tt0 -124.49 152.71 43.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.444 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 12.7 p -139.2 127.27 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -116.9 119.84 36.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.493 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.1 t -127.96 109.63 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.18 -103.12 0.3 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -118.2 28.05 8.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -128.62 153.8 46.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.268 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -140.29 146.48 24.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.444 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -145.24 169.42 18.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 p -135.79 155.88 49.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.376 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.438 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -142.58 146.41 17.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.135 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.7 p -132.1 160.0 37.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 176.58 -172.2 45.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.127 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -29.08 8.58 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.52 1.8 . . . . 0.0 111.035 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -137.61 147.53 45.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.474 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 5.6 ttmt -40.04 -48.62 2.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -41.28 -76.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 63' ' ' LYS . 69.2 mt -46.86 -52.42 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.98 -37.29 8.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.569 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.13 -39.74 75.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.475 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -65.86 -39.69 90.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -67.52 -26.95 66.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.438 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -65.43 -56.28 13.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.78 -46.69 81.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.408 ' O ' HD21 ' A' ' 71' ' ' LEU . 15.7 tt0 -42.25 -64.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.8 -54.92 23.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.462 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 24.2 tpp -44.21 -37.64 3.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.463 HD23 ' CD1' ' A' ' 15' ' ' ILE . 1.3 mt -76.76 -52.94 8.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.408 HD21 ' O ' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -51.46 -46.05 62.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -67.12 -47.38 71.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.552 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -47.72 -56.53 7.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.43 39.11 0.45 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.128 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.552 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 79.4 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.753 . . . . 0.0 111.044 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -33.16 4.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.034 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.53 HD11 ' CZ ' ' A' ' 26' ' ' TYR . 40.4 mm -62.41 -70.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.93 -50.76 18.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.414 ' NH2' ' HB3' ' A' ' 70' ' ' LEU . 4.8 ttt180 -49.3 -50.85 37.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.75 -45.01 95.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.1 -41.89 79.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -64.11 -27.52 69.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.337 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.47 ' CD1' HD21 ' A' ' 70' ' ' LEU . 94.8 mt -79.27 -33.87 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.44 ' CB ' ' HA ' ' A' ' 23' ' ' GLU . 15.9 mm100 -72.66 -31.11 64.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.446 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 1.9 pt20 -85.59 -42.88 13.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -64.05 -33.27 75.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -75.5 -18.85 59.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.2 mttt 67.82 27.77 7.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 25.9 mm-40 -94.88 -75.58 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 170.14 133.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.44 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 1.7 mp0 -39.22 158.83 0.11 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.47 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -75.0 145.42 31.41 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.491 1.785 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.4 103.77 15.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.53 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 45.5 m-85 -89.46 135.43 33.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.403 ' O ' ' SD ' ' A' ' 42' ' ' MET . 2.6 mp -133.76 167.58 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.453 ' CD2' ' HG3' ' A' ' 58' ' ' LYS . 2.6 tm? -109.1 111.91 23.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.467 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 10.2 mt -68.25 -63.22 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.405 ' N ' HD11 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -173.16 -169.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.962 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.568 ' HG3' ' CE2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 31' ' ' GLU . 5.9 m-85 -90.91 158.63 16.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 29' ' ' LEU . 23.0 t -124.83 120.94 60.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.403 ' SD ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -115.68 147.14 41.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 111.054 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.421 ' HG3' ' CG2' ' A' ' 52' ' ' THR . 10.7 tt0 -122.22 154.9 36.9 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.426 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 10.9 p -140.38 130.44 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.17 121.72 40.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.528 ' CG2' ' SD ' ' A' ' 69' ' ' MET . 7.1 t -130.37 109.86 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.98 -106.41 0.89 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -114.95 25.02 11.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -126.7 155.68 42.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -144.25 149.43 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.426 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -146.41 168.98 19.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.421 ' CG2' ' HG3' ' A' ' 43' ' ' GLN . 1.3 p -141.47 159.16 42.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.426 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.418 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -147.89 156.48 26.95 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.5 p -135.82 159.73 40.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 0.789 . . . . 0.0 110.404 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.05 -172.47 41.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -21.86 15.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.798 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -142.85 161.89 36.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.453 ' HG3' ' CD2' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -52.18 -49.19 64.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -41.0 -76.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 54.2 mt -45.93 -50.49 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.18 -32.97 4.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.504 ' HD2' ' CD1' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -72.25 -48.77 40.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -41.23 79.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -61.64 -35.22 77.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.418 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -60.63 -49.76 76.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.445 ' O ' ' CD1' ' A' ' 70' ' ' LEU . . . -58.1 -44.26 87.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.421 ' O ' HD22 ' A' ' 71' ' ' LEU . 8.3 tt0 -49.36 -66.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.65 -61.43 1.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.528 ' SD ' ' CG2' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -39.03 -52.13 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 110.996 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.47 HD21 ' CD1' ' A' ' 15' ' ' ILE . 1.1 mt -64.29 -52.86 56.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.421 HD22 ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER -48.8 -45.67 40.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.453 ' CG ' ' N ' ' A' ' 73' ' ' LEU . 0.1 OUTLIER -68.91 -47.7 65.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.577 ' HB3' ' CD2' ' A' ' 75' ' ' TYR . 0.1 OUTLIER -45.45 -56.77 4.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.14 37.14 0.54 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.57 1.169 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.577 ' CD2' ' HB3' ' A' ' 73' ' ' LEU . 81.9 m-85 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 111.052 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 t 66.15 80.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 0.732 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.42 139.06 12.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.63 170.99 0.12 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m 59.22 165.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.937 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.8 m -62.34 129.79 42.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.96 170.57 20.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -32.52 5.27 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.437 1.756 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.473 ' CD1' ' HA ' ' A' ' 63' ' ' LYS . 10.5 mm -63.99 -67.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 t -49.74 -53.09 27.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.951 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -46.77 -38.26 9.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -47.65 26.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.17 -42.95 82.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -61.4 -28.77 69.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.569 HD12 ' CD2' ' A' ' 75' ' ' TYR . 53.2 mt -79.21 -35.86 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.438 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 17.9 mm100 -68.64 -33.52 74.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.44 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 11.7 pt20 -83.73 -42.68 16.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.44 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -64.31 -31.0 72.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -77.39 -18.76 57.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 mttt 66.1 30.83 9.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.34 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 19.8 mm-40 -99.29 -73.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 170.36 136.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.418 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 8.5 mt-10 -42.03 160.58 0.17 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.478 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.2 Cg_endo -74.98 150.51 38.37 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.64 104.04 12.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 66.9 m-85 -88.15 133.97 33.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 mp -132.88 131.82 59.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.441 ' CD2' ' HD2' ' A' ' 58' ' ' LYS . 2.5 tm? -80.5 116.31 20.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.404 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 14.0 mt -73.33 -64.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.7 -170.81 2.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.552 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -156.48 105.58 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.04 169.8 20.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 127.75 -171.03 19.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.6 mtt -47.22 156.9 0.55 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -39.05 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.79 -58.09 8.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -125.38 77.47 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.28 147.93 29.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -97.57 118.03 33.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.552 ' CD2' ' HB3' ' A' ' 31' ' ' GLU . 15.7 m-85 -103.06 128.91 49.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.404 ' CG1' ' HB2' ' A' ' 29' ' ' LEU . 21.7 t -93.9 120.65 43.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.69 147.94 41.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -123.73 150.38 44.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.423 ' CG1' ' HB2' ' A' ' 51' ' ' ALA . 14.8 p -137.36 129.73 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -117.38 116.93 28.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.6 t -125.47 110.4 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.38 -109.04 1.72 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 111.05 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -113.05 25.49 11.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 0.773 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -129.37 157.05 43.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -140.87 153.4 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.423 ' HB2' ' CG1' ' A' ' 44' ' ' VAL . . . -148.13 169.26 20.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 p -132.09 157.3 44.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.411 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.423 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -143.83 131.11 4.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.1 p -124.08 137.79 54.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.388 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -156.51 -174.76 26.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.473 1.108 . . . . 0.0 110.969 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.405 ' HD2' ' CD1' ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.99 -15.58 20.69 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.491 1.785 . . . . 0.0 111.052 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -147.85 155.71 41.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.441 ' HD2' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -45.95 -53.09 10.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -40.26 -73.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.405 ' CD1' ' HD2' ' A' ' 56' ' ' PRO . 65.0 mt -46.16 -48.5 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.26 -32.63 4.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.573 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -78.84 -45.3 21.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.473 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -60.56 -38.51 84.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -72.03 -24.8 61.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.423 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -65.08 -57.0 9.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.57 -46.9 83.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -44.32 -52.66 7.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.44 -42.47 98.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.163 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.462 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 27.9 tpp -59.15 -38.18 79.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.463 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 6.6 mt -72.82 -39.04 66.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.93 -47.81 60.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -57.99 -33.26 68.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.473 ' HB3' ' CD1' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -72.13 -38.34 69.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.89 37.04 2.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.569 ' CD2' HD12 ' A' ' 15' ' ' ILE . 5.9 m-85 -104.47 -13.38 16.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 0.8 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -137.33 29.06 2.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.24 -47.4 10.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.65 -59.06 3.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.9 m -55.94 -51.09 68.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.01 -65.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 mt -50.46 -54.94 18.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -42.44 -50.06 5.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -60.54 -52.7 64.08 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.4 t -53.02 -37.49 61.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -174.76 156.89 23.7 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -62.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.8 m 42.86 81.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.7 p -84.71 98.09 10.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.427 1.079 . . . . 0.0 111.013 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t 64.82 121.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.43 98.31 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.974 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.06 -113.15 0.54 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.544 1.152 . . . . 0.0 110.975 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.07 -67.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.743 . . . . 0.0 110.027 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.6 p -73.66 130.4 39.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 109.98 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.82 170.33 43.43 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.561 1.163 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -33.29 4.68 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.482 ' CD1' ' HD2' ' A' ' 62' ' ' LYS . 38.0 mm -61.12 -66.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -60.66 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.026 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.6 ttt85 -39.02 -41.96 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.13 -49.58 34.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.71 -46.31 77.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -58.21 -30.39 66.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.572 HD11 ' CD2' ' A' ' 75' ' ' TYR . 41.8 mt -77.23 -36.84 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.466 ' CB ' ' HA ' ' A' ' 23' ' ' GLU . 18.3 mm100 -67.59 -33.82 75.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 2.3 pt20 -85.34 -45.1 12.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.479 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -60.1 -32.65 71.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -79.54 -19.06 50.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.4 mttt 66.53 30.82 8.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 6.6 mm-40 -96.25 -73.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER 169.83 134.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.466 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 4.1 mt-10 -40.97 160.79 0.13 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.471 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -74.96 148.17 35.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.504 1.792 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.5 101.33 11.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.574 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 54.7 m-85 -88.62 131.51 34.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mp -127.85 168.24 21.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.427 HD11 ' N ' ' A' ' 30' ' ' SER . 2.7 tm? -111.24 112.47 24.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.477 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 11.9 mt -69.96 -61.54 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.427 ' N ' HD11 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -175.99 -171.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.577 ' HG3' ' CE2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -139.86 120.81 14.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.307 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.36 171.59 5.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 138.58 -113.3 0.94 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.457 ' CB ' ' HB2' ' A' ' 37' ' ' ARG . 3.5 mmt -82.05 163.89 50.98 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.474 0.749 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -39.54 1.16 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.471 1.774 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -102.08 -45.99 4.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.457 ' HB2' ' CB ' ' A' ' 34' ' ' MET . 1.5 mtt180 -60.74 -53.14 61.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 56.74 109.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.3 140.74 31.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.577 ' CE2' ' HG3' ' A' ' 31' ' ' GLU . 15.3 m-85 -108.51 139.65 42.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.477 ' CG1' ' HB2' ' A' ' 29' ' ' LEU . 17.0 t -103.35 120.09 52.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.8 tpt -119.07 142.74 47.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.975 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -116.98 156.18 27.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.465 ' CG1' ' CB ' ' A' ' 51' ' ' ALA . 12.5 p -139.71 130.21 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -120.61 118.62 30.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.2 t -128.98 110.0 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.36 -110.57 2.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -110.98 24.53 12.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.783 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -127.4 155.42 43.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -142.01 154.18 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.465 ' CB ' ' CG1' ' A' ' 44' ' ' VAL . . . -151.26 172.63 15.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 p -142.38 160.02 41.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.428 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -151.91 146.92 16.12 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.0 p -134.88 154.96 51.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 0.731 . . . . 0.0 110.393 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -171.89 -165.47 29.11 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.536 1.148 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -27.21 10.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.453 1.765 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.468 ' OD1' ' CG1' ' A' ' 60' ' ' ILE . 5.0 p-10 -141.06 153.71 45.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' LYS . 5.6 ttmt -48.06 -51.56 23.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' LYS . 6.9 mmtp -39.79 -62.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.468 ' CG1' ' OD1' ' A' ' 57' ' ' ASN . 68.3 mt -57.61 -43.74 83.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.0 -52.17 26.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.574 ' HG2' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -54.51 -43.92 72.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -59.76 -41.75 91.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -66.76 -27.17 67.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.428 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -63.11 -55.47 25.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.3 83.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -46.12 -52.68 11.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.91 -39.55 94.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.443 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 32.5 tpp -63.1 -47.22 83.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.502 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 3.7 mt -64.28 -34.05 77.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -38.34 85.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -36.65 63.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.4 mt -65.72 -28.6 69.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.32 33.78 5.56 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.572 ' CD2' HD11 ' A' ' 15' ' ' ILE . 9.8 m-85 -106.16 -13.65 15.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -135.93 22.19 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.08 -53.07 7.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.338 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.4 m -44.77 -60.37 2.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -57.84 -53.95 52.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 43.5 t -44.33 -60.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.963 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 tp -44.91 -63.74 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -39.78 -60.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -43.26 -53.17 5.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.63 -50.08 66.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.64 152.68 24.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.46 1.1 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -47.84 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.54 1.81 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.8 m -134.4 145.29 48.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.051 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 93.2 p -128.96 95.37 4.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.977 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.79 80.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.995 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.83 86.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.022 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.4 116.4 0.49 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.66 165.44 21.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 0.791 . . . . 0.0 110.009 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.22 155.16 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.965 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.36 157.5 7.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.414 ' HG2' ' CA ' ' A' ' 63' ' ' LYS . 18.3 Cg_endo -74.99 -31.89 5.85 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.801 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.426 ' CD1' ' HA ' ' A' ' 63' ' ' LYS . 22.9 mm -65.12 -72.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.46 -54.91 2.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -47.8 -43.93 28.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -49.71 61.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.93 -42.44 80.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -61.79 -28.79 69.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.566 HD11 ' CD2' ' A' ' 75' ' ' TYR . 41.0 mt -78.73 -35.81 18.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 15.9 mm100 -67.07 -35.94 80.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.457 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 2.1 pt20 -82.06 -43.89 17.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.457 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -63.7 -29.78 70.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.092 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -79.23 -19.74 49.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.0 mttt 68.32 25.05 7.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 59.4 mm-40 -92.32 -76.74 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 2.5 tptm 172.45 136.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -42.32 159.22 0.2 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.484 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -75.01 147.2 33.56 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.441 1.758 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.06 104.1 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.593 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 95.9 m-85 -87.87 138.83 31.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mp -134.32 131.0 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -78.47 111.1 14.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.432 ' CD2' ' HB2' ' A' ' 43' ' ' GLN . 5.1 mt -68.5 -62.22 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.68 175.32 4.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -142.65 139.37 31.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER 179.14 -173.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.96 161.26 18.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.128 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.8 mtp -46.2 158.55 0.37 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -25.65 11.68 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.487 1.783 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -69.77 -38.11 76.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -143.34 75.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.26 161.93 1.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 32' ' ' ARG . 15.4 tt0 -135.87 122.21 20.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -117.81 122.96 44.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.9 t -89.59 119.8 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.4 tpt -116.43 143.44 45.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.432 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 10.5 tt0 -119.19 153.42 34.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 15.0 p -138.85 132.52 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.41 119.98 32.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.247 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.3 t -129.19 110.14 19.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.73 -107.97 1.37 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.564 1.165 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.58 24.98 11.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.763 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.58 156.39 42.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -142.74 154.05 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.469 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -150.64 171.46 17.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.9 p -142.3 156.13 45.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.427 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -150.85 139.7 7.41 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.7 p -128.38 151.06 49.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 110.427 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -165.12 -166.09 23.5 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -20.91 16.45 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.474 1.776 . . . . 0.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -148.85 154.72 39.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.415 ' HD2' ' NZ ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -45.98 -52.73 11.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.415 ' NZ ' ' HD2' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -39.42 -68.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.0 mt -54.61 -38.77 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.79 -54.36 29.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.593 ' HG2' ' CE1' ' A' ' 26' ' ' TYR . 3.7 ttmm -56.97 -46.65 82.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.426 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 1.0 OUTLIER -53.97 -41.0 67.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -74.3 -23.95 59.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.427 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -65.86 -51.87 55.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.9 -40.52 93.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -48.26 -54.62 13.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.41 -41.21 93.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.46 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 34.3 tpp -60.62 -41.76 95.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.537 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 3.3 mt -72.58 -30.68 64.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.05 -41.38 74.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -38.04 78.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.569 ' HB3' ' CD1' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -64.08 -33.27 75.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.31 36.05 3.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.569 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 7.8 m-85 -106.15 -13.78 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 0.796 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.09 22.98 2.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.93 -52.77 8.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.7 -61.8 0.89 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.5 m -56.99 -52.58 64.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.401 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 t -41.24 -64.36 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.011 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.35 -63.25 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -39.96 -61.64 0.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -40.5 -56.61 2.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.03 -49.98 65.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -147.46 97.44 0.18 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.542 1.151 . . . . 0.0 111.05 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -56.78 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.535 1.808 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.3 t 45.43 80.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.8 m -111.75 132.7 54.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 p -157.82 132.08 8.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.2 p -169.46 164.54 10.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.81 112.27 0.87 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.522 1.139 . . . . 0.0 111.043 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.48 163.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 110.02 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 p -39.84 138.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.976 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.17 165.7 38.96 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.445 1.091 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -33.09 4.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.52 1.8 . . . . 0.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 12' ' ' LEU . 31.6 mt -67.6 -73.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.51 -50.92 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.968 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -53.02 -46.28 68.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -65.86 -49.78 66.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.22 -43.28 82.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -61.16 -28.9 69.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.57 HD13 ' CD2' ' A' ' 75' ' ' TYR . 47.1 mt -78.59 -35.96 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.456 ' CB ' ' HA ' ' A' ' 23' ' ' GLU . 15.8 mm100 -65.87 -32.14 73.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.42 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 2.4 pt20 -88.83 -42.09 12.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -61.34 -30.52 70.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.424 ' HD2' ' CG2' ' A' ' 15' ' ' ILE . 6.0 mtt-85 -84.38 -18.6 35.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 mttm 67.99 28.53 6.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 46.3 mm-40 -92.04 -74.36 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER 170.01 135.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.266 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 18.0 mt-10 -42.54 159.28 0.2 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.479 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -74.99 148.56 35.5 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.5 1.79 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.77 104.16 13.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.578 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 71.4 m-85 -88.05 135.21 33.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -132.49 131.59 60.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.1 tp -80.35 115.93 20.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.472 ' CD1' HG13 ' A' ' 41' ' ' VAL . 20.6 mt -71.01 -64.3 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.62 -164.55 0.66 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' OE1' ' N ' ' A' ' 32' ' ' ARG . 0.5 OUTLIER -149.64 114.33 5.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.402 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -167.87 159.21 11.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 38' ' ' ARG . . . 135.95 53.8 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.435 ' O ' ' N ' ' A' ' 38' ' ' ARG . 4.6 mmm 63.85 154.51 0.12 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -35.75 3.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.528 1.804 . . . . 0.0 111.003 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.1 mtt-85 -68.45 -48.93 63.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -83.42 -57.57 3.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER 57.46 103.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.63 136.4 49.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.085 . . . . 0.0 110.269 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -112.37 124.25 52.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.472 HG13 ' CD1' ' A' ' 29' ' ' LEU . 16.1 t -88.87 130.45 38.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.23 147.77 50.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 9.1 tt0 -123.72 153.77 40.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 110.351 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 14.7 p -138.86 133.05 41.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -122.57 118.77 29.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.479 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.6 t -128.08 110.14 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.97 -107.68 1.29 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.104 . . . . 0.0 111.032 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -113.7 24.26 12.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -126.75 156.01 41.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -142.53 154.26 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.464 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -151.14 173.26 14.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.9 p -141.36 158.95 43.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.4 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.425 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -147.74 152.84 24.89 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.501 1.125 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 21.6 p -136.89 157.86 45.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 110.393 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.81 -172.19 42.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -25.12 12.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.412 ' ND2' HG13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -138.0 163.2 32.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -56.52 -42.72 78.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.95 -68.32 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.412 HG13 ' ND2' ' A' ' 57' ' ' ASN . 28.4 mt -53.28 -50.74 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.12 -39.51 28.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.578 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -68.05 -48.41 65.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.74 -45.51 70.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -61.28 -34.63 75.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.425 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -60.03 -48.16 82.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.36 -36.57 84.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.11 -54.41 46.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.73 -41.91 67.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.465 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 36.9 tpp -60.53 -50.7 72.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.487 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 1.9 mt -64.14 -34.09 77.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -38.32 85.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.66 -38.81 62.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.2 mt -62.81 -28.77 70.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.93 34.46 5.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.432 1.083 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.57 ' CD2' HD13 ' A' ' 15' ' ' ILE . 7.9 m-85 -106.18 -14.1 15.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.08 21.27 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.1 -53.35 7.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.19 -58.14 3.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.5 m -59.28 -55.75 30.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 110.401 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.4 t -41.48 -61.47 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.02 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mt -49.21 -62.5 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -61.25 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -40.51 -57.03 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.5 t -54.62 -49.91 69.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.98 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -175.56 156.36 21.82 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 164.8 32.52 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.46 1.769 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 79.8 p -170.12 164.33 9.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 110.009 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.3 t -157.74 139.58 14.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -154.66 143.32 20.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 0.728 . . . . 0.0 110.006 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.82 120.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.16 168.61 24.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.7 m 53.02 83.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.744 . . . . 0.0 109.976 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 p -42.22 123.55 2.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.93 178.09 29.4 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -34.05 4.08 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.45 1.763 . . . . 0.0 110.954 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.1 mt -65.59 -73.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -38.8 -50.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.2 ttt85 -54.35 -49.62 69.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -42.33 99.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.05 -44.07 96.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -59.82 -27.81 66.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.572 ' CD1' ' CD2' ' A' ' 70' ' ' LEU . 20.4 mt -80.81 -36.9 15.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.42 ' OE1' ' O ' ' A' ' 22' ' ' LYS . 4.2 mm-40 -65.49 -32.34 73.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.341 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.401 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 8.9 pt20 -85.41 -40.68 16.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.401 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -68.62 -27.65 66.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.4 mtt-85 -79.96 -17.5 52.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.327 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt 66.92 27.67 8.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 10.4 mm-40 -94.04 -73.59 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 163.61 138.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -37.91 156.62 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.506 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.2 Cg_endo -75.0 148.97 35.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -108.64 105.33 14.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.578 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 68.3 m-85 -88.55 134.19 33.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -131.22 130.43 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.475 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 15.6 tp -78.71 119.63 22.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.465 ' CD1' HG12 ' A' ' 41' ' ' VAL . 20.7 mt -77.25 -62.25 1.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.92 -178.13 4.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.947 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -148.28 102.79 3.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -146.66 168.39 21.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 133.22 163.76 10.6 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.47 159.43 0.29 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.454 0.738 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -27.98 9.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -77.79 -29.75 50.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.45 78.12 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -61.53 -179.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' ARG . 10.0 tt0 -145.72 117.68 8.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.519 ' CD1' ' HA ' ' A' ' 57' ' ' ASN . 13.7 m-85 -104.52 121.83 44.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 29' ' ' LEU . 15.8 t -88.74 122.57 40.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.43 149.36 43.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -124.82 152.58 43.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.443 ' CG1' ' HB2' ' A' ' 51' ' ' ALA . 14.6 p -137.53 132.05 44.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -119.4 117.17 27.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.506 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 7.1 t -125.89 109.89 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 0.0 109.272 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.4 -109.49 1.98 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.94 24.9 12.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -128.57 157.41 41.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -142.2 155.5 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.443 ' HB2' ' CG1' ' A' ' 44' ' ' VAL . . . -151.22 173.57 14.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 p -137.55 160.51 38.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.366 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.437 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -148.1 140.14 8.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.1 p -127.8 151.98 48.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.415 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.66 -172.56 38.48 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.12 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -14.2 21.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.463 1.77 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.519 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 16.7 p30 -151.93 167.17 29.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.475 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 20.6 ttmt -55.67 -50.86 69.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 1.4 mmtt -40.76 -76.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.457 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 62.6 mt -46.83 -54.36 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.97 -39.03 5.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.578 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -68.91 -49.62 56.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.04 -46.85 72.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.401 ' ND2' HG23 ' A' ' 60' ' ' ILE . 3.2 m-80 -60.35 -31.14 70.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.437 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -60.46 -50.47 73.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.05 -41.87 97.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -51.79 -58.61 5.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.69 -45.89 67.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.472 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 23.0 tpp -56.17 -48.95 75.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.572 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 3.5 mt -64.94 -31.28 72.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -37.28 75.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -37.03 65.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 75' ' ' TYR . 3.9 mp -63.0 -36.18 82.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.71 29.57 4.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.459 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 7.5 m-85 -101.43 -14.59 17.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 0.74 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.09 23.25 2.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.83 -50.9 9.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.6 m -43.05 -58.74 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.5 m -58.58 -52.84 63.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.5 t -41.62 -61.23 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.74 -57.12 13.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -40.39 -56.7 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -57.36 -47.43 81.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.2 t -54.98 -43.8 73.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.047 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -155.44 148.33 18.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -61.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 71.7 p -136.53 157.99 45.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.1 p 176.81 78.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.976 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 t -178.7 114.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 0.797 . . . . 0.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -54.24 164.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.99 133.07 7.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m 56.69 104.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.787 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 m 50.46 91.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.0 152.94 16.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.449 ' HG2' ' CB ' ' A' ' 63' ' ' LYS . 18.1 Cg_endo -75.02 -37.02 2.2 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.48 ' CD1' ' HD2' ' A' ' 62' ' ' LYS . 38.9 mm -62.07 -65.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.94 -55.65 7.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.955 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.2 ttt85 -47.35 -45.03 24.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -49.7 65.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.75 -45.29 82.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -58.62 -29.81 66.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.566 HD12 ' CD2' ' A' ' 75' ' ' TYR . 42.5 mt -78.28 -36.71 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.447 ' CB ' ' HA ' ' A' ' 23' ' ' GLU . 17.1 mm100 -67.52 -33.68 75.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.424 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 11.2 pt20 -84.65 -41.41 16.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.424 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -66.0 -29.35 69.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.1 mtt-85 -79.72 -19.49 48.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.1 mttt 67.13 27.76 8.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -95.83 -75.09 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.241 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.28 136.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 9.5 mt-10 -42.73 160.72 0.19 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.484 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.2 Cg_endo -74.98 148.67 35.69 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -113.1 104.38 12.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.578 ' CE2' ' HG2' ' A' ' 62' ' ' LYS . 95.9 m-85 -87.05 142.13 28.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -135.93 131.61 49.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.5 tp -77.26 123.36 26.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.471 ' CD1' HG13 ' A' ' 41' ' ' VAL . 15.1 mt -80.34 -61.15 2.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.36 167.98 8.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.501 ' HG2' ' CD2' ' A' ' 40' ' ' PHE . 1.2 mt-10 -123.56 113.46 18.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 179.24 155.04 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.15 53.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.9 mmt 60.93 156.2 0.11 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -37.04 2.24 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.525 1.803 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.19 -52.01 22.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -144.29 76.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.12 146.33 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.254 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -127.48 143.16 51.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.501 ' CD2' ' HG2' ' A' ' 31' ' ' GLU . 30.5 m-85 -118.99 123.98 45.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.471 HG13 ' CD1' ' A' ' 29' ' ' LEU . 20.5 t -88.84 119.16 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.433 ' HB2' ' CB ' ' A' ' 61' ' ' ALA . 4.4 tpt -117.05 148.61 41.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.418 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 9.0 tt0 -121.87 154.48 37.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.418 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 8.0 p -138.87 132.41 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -120.64 120.27 35.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.255 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.6 t -129.14 110.04 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.74 -108.33 1.51 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.16 24.69 12.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 0.777 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -127.53 156.84 41.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -142.71 154.82 17.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.418 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -151.95 175.31 12.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 p -143.52 157.6 44.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.422 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -144.94 151.06 23.27 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.115 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 47.4 p -137.09 149.69 47.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 110.401 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.87 -165.62 26.57 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -18.28 18.96 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.447 1.762 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -153.27 157.43 40.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 59' ' ' LYS . 4.9 ttmt -49.71 -48.97 49.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 58' ' ' LYS . 3.5 mmtp -39.36 -64.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 76.6 mt -60.61 -41.52 88.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.433 ' CB ' ' HB2' ' A' ' 42' ' ' MET . . . -48.22 -48.74 34.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.578 ' HG2' ' CE2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -57.53 -47.91 80.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' CB ' ' HG2' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -56.66 -41.68 77.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -67.24 -28.03 67.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.422 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -65.46 -51.49 59.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.5 98.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -51.09 -52.52 42.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.76 -40.93 89.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.474 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 41.2 tpp -62.27 -49.78 74.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.493 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 2.8 mt -62.42 -35.86 80.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.46 -38.4 87.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -39.05 62.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.5 mt -62.34 -30.24 71.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.52 33.88 4.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.566 ' CD2' HD12 ' A' ' 15' ' ' ILE . 8.6 m-85 -106.26 -14.33 15.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 0.79 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.95 21.85 3.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.99 -53.81 6.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.44 -60.43 1.73 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.977 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -58.3 -54.31 48.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.345 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.0 t -40.97 -60.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.044 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.92 -66.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -38.8 -62.12 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -40.48 -56.33 2.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.8 t -57.0 -49.92 74.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 178.21 118.06 0.55 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.442 1.089 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 169.59 22.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.485 1.782 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.56 153.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.978 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.9 t 64.03 130.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.039 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.8 m 58.24 93.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 109.968 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 p -127.97 165.63 19.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.64 129.33 1.1 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 m 64.52 155.5 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 0.789 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.14 105.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.46 176.69 16.95 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.419 ' HG2' ' CA ' ' A' ' 63' ' ' LYS . 18.3 Cg_endo -74.98 -32.26 5.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.49 ' CD1' ' HD2' ' A' ' 62' ' ' LYS . 41.3 mt -67.61 -73.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -38.27 -44.03 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.0 ttt85 -61.33 -49.16 78.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -65.23 -47.71 75.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.44 -42.8 78.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -61.79 -26.88 68.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.459 ' CD1' ' CD2' ' A' ' 70' ' ' LEU . 61.9 mt -81.69 -34.56 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.423 ' CB ' ' HA ' ' A' ' 23' ' ' GLU . 15.7 mm100 -70.42 -27.05 63.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.492 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 3.1 pt20 -91.18 -46.26 8.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.492 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -59.11 -34.24 71.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.447 ' NH1' ' OH ' ' A' ' 75' ' ' TYR . 2.4 mtt85 -79.22 -16.39 56.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.355 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.1 mttm 63.69 31.12 14.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 11.3 mm-40 -93.19 -69.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 1.0 OUTLIER 164.24 132.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.423 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 33.5 mt-10 -39.55 159.53 0.11 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.491 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.1 Cg_endo -75.04 147.7 34.12 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.538 1.809 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.27 105.22 15.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.561 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 60.5 m-85 -88.14 137.45 32.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -136.3 132.34 49.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.475 HD12 ' CG ' ' A' ' 58' ' ' LYS . 18.4 tp -79.1 123.19 27.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.1 mt -80.82 -61.6 1.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.232 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 t -168.74 175.91 5.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.01 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -143.43 125.19 15.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -171.45 161.73 6.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 143.05 166.87 11.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.3 mmt -48.23 159.0 0.53 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 111.052 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -28.51 9.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.42 1.748 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -44.01 71.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.4 mtm-85 -138.83 77.05 1.6 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -55.39 161.27 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -134.67 139.42 45.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 31' ' ' GLU . 43.7 m-85 -128.82 139.32 52.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.3 t -100.17 136.07 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.41 149.55 52.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -124.6 152.36 43.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 110.305 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.512 ' CG1' ' CB ' ' A' ' 51' ' ' ALA . 12.7 p -138.15 132.1 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -121.93 118.39 28.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.491 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.3 t -127.37 110.12 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.43 -104.94 0.62 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -117.06 24.71 11.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 0.787 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -126.36 154.7 43.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -139.41 152.75 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.512 ' CB ' ' CG1' ' A' ' 44' ' ' VAL . . . -148.8 169.02 21.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.9 p -136.53 156.18 48.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.413 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -143.19 154.29 25.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 111.044 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 73.5 p -147.01 145.92 29.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 0.807 . . . . 0.0 110.418 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -162.56 -166.69 21.78 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.526 1.142 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -24.12 13.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 16.3 p30 -140.15 168.07 20.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.475 ' CG ' HD12 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -57.11 -50.2 73.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.435 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -40.88 -76.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.473 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 51.4 mt -45.11 -50.13 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -45.1 -33.67 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.561 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -75.14 -44.33 47.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.419 ' CA ' ' HG2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -61.16 -41.05 96.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -63.68 -31.27 72.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.413 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -61.86 -56.68 16.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.61 -40.06 74.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.443 ' HG2' ' CD1' ' A' ' 71' ' ' LEU . 15.6 tt0 -54.21 -55.3 29.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.32 -46.55 72.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.479 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 37.8 tpp -55.52 -46.53 77.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.459 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 1.1 mt -71.42 -28.74 64.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.443 ' CD1' ' HG2' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -73.76 -40.58 63.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.44 -38.76 65.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.248 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.584 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 2.8 mp -60.77 -45.47 94.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 117.5 30.8 1.78 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 77.8 m-85 -106.56 -24.45 12.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.742 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.78 18.87 7.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 78' ' ' SER . . . -79.13 -59.82 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 77' ' ' ALA . 31.0 m -39.12 -60.33 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 81.0 p -54.21 -48.97 70.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.38 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.403 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . 8.7 t -44.44 -64.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.2 mp -51.02 -57.02 9.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.26 -53.06 3.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -57.95 -51.6 68.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.2 t -53.36 -38.76 63.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.145 . . . . 0.0 109.969 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -171.68 157.43 27.71 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -57.53 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.02 -65.03 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.952 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.8 m 70.72 125.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.996 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t -115.69 90.29 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 110.009 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.54 80.48 1.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.042 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.21 -162.98 0.06 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.66 99.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.965 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 t -172.52 82.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.986 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.54 -177.87 46.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -30.94 6.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.459 1.768 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 12' ' ' LEU . 41.3 mt -66.9 -73.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -38.67 -46.86 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.968 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -58.06 -47.25 83.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -65.59 -49.84 67.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.084 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.31 -45.07 80.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -59.92 -29.53 68.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.527 ' CD1' ' CD2' ' A' ' 70' ' ' LEU . 39.8 mt -77.77 -36.1 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.441 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 18.1 mm100 -68.39 -34.59 76.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 12.9 pt20 -84.45 -45.48 12.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.479 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -60.07 -31.89 70.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.435 ' HD2' ' CG2' ' A' ' 15' ' ' ILE . 3.9 mtt-85 -78.9 -18.78 53.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.9 mttm 66.22 34.9 6.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 5.9 mm-40 -101.79 -72.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER 169.54 133.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.43 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 0.7 OUTLIER -42.0 160.79 0.17 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.487 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.5 Cg_endo -74.95 151.97 40.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.83 104.92 12.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.36 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.556 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 76.5 m-85 -87.97 137.85 31.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -133.58 126.75 52.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.474 ' CD2' ' HG3' ' A' ' 58' ' ' LYS . 2.4 tm? -77.23 113.76 15.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.5 mt -70.9 -61.04 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.3 -165.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.55 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -163.25 115.05 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -153.16 -176.78 5.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 112.46 172.53 18.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.459 ' CE ' ' HB2' ' A' ' 36' ' ' ARG . 8.7 ptm -52.41 161.76 1.01 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.68 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.539 1.81 . . . . 0.0 110.981 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.459 ' HB2' ' CE ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -41.44 -55.89 2.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -140.94 74.53 1.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -40.99 161.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -126.49 114.88 18.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.55 ' CD2' ' HB3' ' A' ' 31' ' ' GLU . 12.6 m-85 -105.34 127.11 52.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.8 t -93.23 121.54 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.22 146.33 45.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -121.64 153.93 37.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.476 ' CG1' ' CB ' ' A' ' 51' ' ' ALA . 13.0 p -139.56 132.78 36.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -120.35 121.34 38.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.487 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.5 t -130.23 109.81 18.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.04 -107.69 1.17 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.426 1.079 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -113.98 26.69 10.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.282 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -129.72 157.44 42.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -141.56 154.68 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.476 ' CB ' ' CG1' ' A' ' 44' ' ' VAL . . . -150.28 172.51 15.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 p -140.66 158.26 44.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.423 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -146.63 145.86 15.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.2 p -132.21 153.22 50.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.777 . . . . 0.0 110.402 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -171.31 -168.08 32.46 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.448 1.092 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -25.76 11.49 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 16.9 p30 -139.84 168.47 19.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.48 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -57.06 -51.19 70.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 62' ' ' LYS . 9.6 mtmt -40.13 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.473 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 45.2 mt -44.14 -55.11 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.25 -33.41 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.556 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -71.04 -47.09 60.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -58.21 -44.97 88.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -61.33 -29.38 69.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.357 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.423 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -64.07 -54.71 29.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.07 -41.43 78.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -51.21 -60.01 3.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.42 -50.26 52.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.477 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 34.9 tpp -50.95 -49.15 60.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.527 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 5.0 mt -63.49 -38.74 92.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -40.81 97.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.243 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -39.53 64.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.561 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -59.21 -45.85 89.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.3 34.45 1.02 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 75.2 m-85 -106.69 -28.54 10.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -120.93 23.1 10.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.09 -59.17 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.15 -57.19 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.9 m -57.44 -53.69 55.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.443 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.8 t -43.24 -64.74 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.002 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.48 -64.42 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 83' ' ' ASP . 10.9 tt0 -38.96 -61.27 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.342 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 82' ' ' GLN . 0.8 OUTLIER -40.53 -57.13 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.81 -49.98 73.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -148.09 109.16 0.45 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.145 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -54.14 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.778 . . . . 0.0 111.059 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.78 -60.59 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.67 145.38 25.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.033 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.68 89.57 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 109.986 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.42 145.71 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.66 118.39 0.75 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -127.89 127.01 42.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 49.51 89.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.85 176.18 47.03 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.557 1.161 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -31.18 6.55 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.446 1.761 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.47 ' CD1' ' HA ' ' A' ' 63' ' ' LYS . 10.7 mm -63.28 -68.36 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.12 -54.47 6.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.99 -45.05 4.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.77 -47.97 64.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.77 -40.37 75.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -64.83 -26.31 68.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.491 HG22 ' CZ ' ' A' ' 75' ' ' TYR . 56.8 mt -82.32 -33.19 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.466 ' CB ' ' HA ' ' A' ' 23' ' ' GLU . 16.0 mm100 -70.86 -27.8 64.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.474 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 13.8 pt20 -89.35 -44.74 9.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.474 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -62.27 -29.47 70.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -81.59 -19.07 42.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.261 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.4 mttt 66.15 27.72 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 6.6 mm-40 -93.1 -74.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 170.21 135.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.466 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -41.63 159.79 0.17 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.485 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -74.98 147.14 33.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.522 1.801 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.12 104.33 13.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.596 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 85.6 m-85 -87.8 135.34 33.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mp -130.23 133.87 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.424 HD11 ' N ' ' A' ' 30' ' ' SER . 2.8 tm? -82.04 111.73 18.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.459 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 17.2 mt -68.03 -62.36 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.424 ' N ' HD11 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -170.98 -176.58 2.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 2.1 pm0 -143.53 123.6 13.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 178.71 158.57 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 147.71 -157.21 27.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.14 . . . . 0.0 110.999 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.84 157.16 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -38.76 1.46 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.508 1.794 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.83 -54.07 2.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -42.72 89.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 58.04 157.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.71 138.88 21.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CD2' ' HD2' ' A' ' 58' ' ' LYS . 54.0 m-85 -124.97 151.72 45.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 29' ' ' LEU . 25.3 t -111.42 126.2 68.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.3 tpt -122.89 145.97 47.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 9.8 tt0 -124.01 153.68 40.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.508 ' CG1' ' CB ' ' A' ' 51' ' ' ALA . 10.4 p -138.47 133.21 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -122.39 119.85 32.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.485 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.3 t -130.74 109.98 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.76 -108.96 1.76 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.497 1.123 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -112.83 24.47 12.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.95 155.32 43.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -141.78 154.0 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.508 ' CB ' ' CG1' ' A' ' 44' ' ' VAL . . . -149.73 172.87 14.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.8 p -143.47 160.03 41.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 0.0 110.387 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.436 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -148.96 152.74 24.72 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.3 p -138.62 150.17 45.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 0.777 . . . . 0.0 110.34 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.09 -173.19 37.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -22.47 14.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -141.96 154.23 44.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.57 ' HD2' ' CD2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -44.08 -52.73 6.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.91 -76.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.414 HG22 ' ND2' ' A' ' 64' ' ' ASN . 44.9 mt -43.54 -43.77 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.21 -55.92 13.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.596 ' HG2' ' CE1' ' A' ' 26' ' ' TYR . 3.1 ttmm -56.57 -47.39 79.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.47 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -52.88 -43.12 65.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.414 ' ND2' HG22 ' A' ' 60' ' ' ILE . 3.5 m-80 -69.71 -27.72 65.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.436 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -66.46 -54.1 27.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.362 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.29 97.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -52.42 -50.99 61.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.78 98.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.458 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 27.5 tpp -58.59 -41.46 85.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.412 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 1.9 mt -72.35 -27.77 62.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.89 -40.39 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -41.63 64.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.573 ' HB3' ' CD2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -57.64 -47.48 82.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.358 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.54 34.71 0.91 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.128 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.573 ' CD2' ' HB3' ' A' ' 73' ' ' LEU . 77.4 m-85 -106.46 -26.42 11.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.753 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.39 20.27 8.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.64 -51.69 7.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 p -46.13 -61.91 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.038 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 55.2 m -57.4 -49.95 74.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.382 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.1 t -40.78 -61.76 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.67 -62.79 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -38.94 -63.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -41.52 -55.44 2.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.08 -49.95 74.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.001 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.29 142.19 48.29 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -59.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.529 1.805 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.48 167.46 11.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.77 -58.47 2.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.025 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 t -109.52 113.61 26.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.1 p -174.53 89.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.043 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.47 132.33 6.3 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -55.62 149.21 14.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 43.07 88.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.35 158.62 22.82 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.47 4.59 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.475 ' CD1' ' HD2' ' A' ' 62' ' ' LYS . 33.6 mt -68.54 -73.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.33 -45.93 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.4 ' NH2' ' O ' ' A' ' 75' ' ' TYR . 13.2 ttt180 -57.88 -44.0 86.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -70.03 -48.76 56.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.01 -46.73 75.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -58.74 -29.2 66.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.575 HD11 ' CD2' ' A' ' 75' ' ' TYR . 53.7 mt -77.3 -37.09 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.444 ' CB ' ' HA ' ' A' ' 23' ' ' GLU . 19.3 mm100 -67.5 -35.87 79.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 1.6 pt20 -82.22 -45.28 15.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.479 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -60.9 -31.81 71.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -78.48 -15.24 58.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 mttt 63.56 29.62 15.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 6.1 mm-40 -95.99 -71.4 0.67 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 4.4 tttp 166.19 132.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.444 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 2.8 mt-10 -39.84 160.53 0.11 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.471 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -75.0 150.91 38.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.769 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.68 105.39 14.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.527 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 63.0 m-85 -88.42 136.13 33.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -135.43 129.29 49.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.423 ' CD2' ' HG3' ' A' ' 58' ' ' LYS . 2.3 tm? -77.08 111.76 13.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.476 ' CD2' ' HB2' ' A' ' 43' ' ' GLN . 8.6 mt -65.42 -64.84 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.3 -168.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.993 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.501 ' O ' ' CD ' ' A' ' 32' ' ' ARG . 11.3 mt-10 -145.77 140.45 27.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.338 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER 178.8 179.86 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 114.76 -173.19 14.65 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.0 mmm -45.74 156.65 0.42 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 110.969 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -25.47 11.82 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -98.36 -50.76 4.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -65.52 -56.11 14.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 64.54 132.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 32' ' ' ARG . 15.9 tt0 -126.46 121.39 32.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.35 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 57' ' ' ASN . 24.7 m-85 -110.91 126.44 54.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.433 HG13 ' CD1' ' A' ' 29' ' ' LEU . 22.0 t -91.62 123.35 43.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.66 146.83 45.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.476 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 7.5 tt0 -121.72 151.35 40.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.469 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 12.8 p -139.05 130.73 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.459 ' HG3' ' CG2' ' A' ' 50' ' ' VAL . 0.6 OUTLIER -117.55 118.49 32.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.472 ' HB ' ' CE ' ' A' ' 69' ' ' MET . 2.6 t -125.09 110.01 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.46 -107.32 1.08 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -114.1 25.86 10.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -129.35 157.95 40.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.336 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.459 ' CG2' ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -143.1 151.22 17.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.469 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -148.15 170.05 18.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 p -133.85 157.11 46.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.341 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.9 140.94 9.52 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.477 1.11 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.5 p -131.0 161.3 32.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.73 -158.53 21.43 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.416 ' CG ' HD11 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -75.03 -36.98 2.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.772 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.461 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 0.4 OUTLIER -135.45 176.2 8.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 59' ' ' LYS . 2.1 ttmm -60.19 -51.93 67.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -36.97 -78.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 63' ' ' LYS . 64.9 mt -46.5 -54.27 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.72 -32.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.527 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -74.43 -46.98 36.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -56.84 -42.87 80.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -63.86 -31.84 73.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.02 -48.91 79.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.42 -42.32 92.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -55.15 -51.29 66.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.26 -40.21 81.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.472 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 36.9 tpp -62.24 -52.91 61.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.449 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 1.8 mt -58.68 -38.01 77.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.78 -39.96 79.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.424 ' OE1' ' SD ' ' A' ' 69' ' ' MET . 1.4 pt20 -71.59 -28.13 63.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.33 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.4 mt -76.59 -27.29 55.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.03 35.41 5.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.575 ' CD2' HD11 ' A' ' 15' ' ' ILE . 5.7 m-85 -105.95 -13.07 15.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.34 25.44 2.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.12 -51.47 8.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.4 t -44.53 -55.85 4.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.8 m -60.64 -55.64 30.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.438 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.8 t -40.43 -60.42 1.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.53 -65.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -39.03 -64.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -40.5 -54.43 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.45 -49.26 67.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.99 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -113.26 97.32 0.86 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 143.19 28.7 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.496 1.787 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.65 -58.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.037 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.6 t -59.51 165.96 2.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.046 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t -120.29 97.59 5.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 0.736 . . . . 0.0 109.971 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -148.85 140.93 23.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.75 -103.2 0.28 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.98 -68.49 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 110.012 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.64 117.4 28.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.39 178.68 44.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.446 1.091 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -29.91 7.82 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 12' ' ' LEU . 43.1 mt -68.83 -74.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 t -40.95 -52.57 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -50.19 -40.28 46.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -71.15 -48.3 52.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.24 -44.72 84.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -59.66 -30.06 68.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.568 HD11 ' CD2' ' A' ' 75' ' ' TYR . 56.7 mt -76.99 -37.03 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.43 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 18.1 mm100 -66.35 -36.11 82.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.473 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 2.4 pt20 -82.86 -45.4 14.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.473 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -60.15 -31.54 70.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -79.52 -18.53 51.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mttm 65.81 33.52 8.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 28.6 mm-40 -100.03 -72.41 0.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 169.84 133.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -42.56 159.64 0.2 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.464 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.1 Cg_endo -75.03 148.45 35.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.452 1.764 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.07 102.11 11.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.611 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 58.7 m-85 -88.85 134.64 33.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mp -132.35 167.34 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.421 HD13 ' N ' ' A' ' 30' ' ' SER . 2.3 tm? -110.95 112.04 23.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.2 mt -69.98 -61.99 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.421 ' N ' HD13 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -168.1 -172.39 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.001 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.533 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 13.2 pt-20 -152.9 120.71 6.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.29 -172.71 3.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.32 -129.08 8.15 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -104.96 152.86 39.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 111.011 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -0.99 10.64 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.25 -49.61 3.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -93.18 -31.01 14.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 34' ' ' MET . 7.9 mmt180 44.88 96.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -82.67 130.45 35.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.533 ' CD1' ' HB3' ' A' ' 31' ' ' GLU . 18.7 m-85 -122.04 130.09 52.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.4 t -93.79 128.91 44.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.401 ' SD ' ' CD2' ' A' ' 28' ' ' LEU . 2.4 tpt -125.64 139.91 53.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -113.7 155.52 25.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 7.0 p -141.94 129.43 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.409 ' HG3' ' CG2' ' A' ' 50' ' ' VAL . 4.2 ttmt -116.89 117.44 29.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.5 t -123.82 110.28 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.01 -107.88 1.23 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -113.41 26.62 10.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -130.06 157.46 42.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.409 ' CG2' ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -142.57 151.17 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.461 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -148.62 168.77 21.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 p -138.86 158.37 44.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.422 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -152.03 150.87 22.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.7 p -130.03 164.64 23.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 110.429 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -179.06 -179.78 48.77 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HG2' ' CD1' ' A' ' 60' ' ' ILE . 18.2 Cg_endo -74.98 -10.49 21.28 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -154.17 151.73 29.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.464 ' HD2' ' CD1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -45.33 -45.5 12.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.84 -70.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.412 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 59.1 mt -51.76 -45.96 38.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.26 -59.9 2.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.611 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -50.17 -53.11 30.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -50.07 -45.58 52.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -61.85 -32.87 73.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.422 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -64.81 -49.06 72.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.86 97.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -57.64 -48.74 78.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.72 -42.89 89.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.46 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 39.8 tpp -59.66 -56.14 25.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.458 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 4.0 mt -53.45 -42.49 67.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.28 -39.32 89.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.423 ' OE1' ' SD ' ' A' ' 69' ' ' MET . 1.0 OUTLIER -72.33 -25.44 61.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.6 mt -77.17 -29.93 54.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.64 35.55 4.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.568 ' CD2' HD11 ' A' ' 15' ' ' ILE . 5.3 m-85 -105.97 -13.27 15.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.77 . . . . 0.0 110.953 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.19 25.49 2.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.5 -61.66 1.87 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.4 -58.8 1.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.6 m -58.71 -54.87 42.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.5 t -40.36 -59.34 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 109.958 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.66 -65.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -39.01 -61.54 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -40.58 -55.74 2.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.8 t -53.31 -49.94 65.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.029 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 178.79 -175.58 47.44 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 151.21 39.05 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.428 1.751 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.72 164.12 34.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.8 t -111.48 155.48 23.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.97 -58.58 3.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 0.789 . . . . 0.0 110.031 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.7 m -120.2 87.89 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.964 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.0 156.86 9.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 m -100.16 145.88 27.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.025 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m 61.73 91.8 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.961 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.29 176.15 18.27 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -32.12 5.7 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.526 1.803 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.479 ' CD1' ' HA ' ' A' ' 63' ' ' LYS . 14.9 mm -63.34 -67.94 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.49 -55.98 4.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.004 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.36 -47.65 6.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.502 ' CD2' ' OE1' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -66.68 -49.53 65.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.44 -43.97 72.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -62.54 -27.83 69.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.501 ' CD1' ' CD2' ' A' ' 70' ' ' LEU . 38.3 mt -80.45 -32.48 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.502 ' OE1' ' CD2' ' A' ' 12' ' ' LEU . 14.2 mm100 -71.57 -31.04 66.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.463 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 12.6 pt20 -85.83 -44.1 12.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.463 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -63.4 -32.12 73.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -77.84 -19.04 55.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.5 mttt 66.94 25.28 9.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 47.9 mm-40 -91.31 -74.66 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 169.48 134.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.464 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 3.6 mt-10 -39.94 160.23 0.11 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.486 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -75.0 145.44 31.45 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.14 101.0 10.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.652 ' CD1' ' CG ' ' A' ' 62' ' ' LYS . 73.6 m-85 -88.87 129.34 35.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.409 ' O ' ' SD ' ' A' ' 42' ' ' MET . 2.4 mp -127.04 167.7 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.411 ' CD2' ' SD ' ' A' ' 42' ' ' MET . 2.5 tm? -109.27 110.67 21.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.476 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 6.5 mt -70.76 -52.08 23.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.415 ' C ' ' OE1' ' A' ' 31' ' ' GLU . 0.4 OUTLIER 176.61 -170.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.415 ' OE1' ' C ' ' A' ' 30' ' ' SER . 3.9 pm0 -160.53 126.36 4.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 177.04 -54.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 48.88 -101.56 0.04 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.91 163.38 33.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -25.87 11.58 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -102.46 -15.16 16.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.41 82.09 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -60.12 136.65 58.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -135.42 146.29 48.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -111.01 126.21 54.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 29' ' ' LEU . 3.2 t -88.68 124.94 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.411 ' SD ' ' CD2' ' A' ' 28' ' ' LEU . 4.4 tpt -124.78 151.61 44.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.475 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 10.1 tt0 -127.07 158.2 37.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.458 ' CG1' ' CB ' ' A' ' 51' ' ' ALA . 14.2 p -142.74 130.33 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -119.23 118.54 31.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.486 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.1 t -129.88 109.92 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.87 -111.89 3.39 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -109.61 24.86 12.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 0.792 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -127.96 155.02 44.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -142.25 154.14 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.458 ' CB ' ' CG1' ' A' ' 44' ' ' VAL . . . -150.87 174.02 13.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 p -144.45 157.69 44.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.453 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.416 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -141.81 149.9 21.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.539 1.149 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.8 p -136.93 135.08 37.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 0.732 . . . . 0.0 110.38 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -158.95 -175.64 30.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -21.95 15.4 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 5.9 p-10 -141.09 142.93 34.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 57' ' ' ASN . 12.0 ttmt -39.66 -43.86 1.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.25 -65.07 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 77.2 mt -58.46 -35.75 55.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.94 -55.48 23.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.652 ' CG ' ' CD1' ' A' ' 26' ' ' TYR . 5.0 ttmm -57.94 -48.84 78.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.479 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 1.1 mtmt -52.58 -50.68 62.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -61.04 -27.69 68.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.416 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -69.81 -55.55 9.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.3 -41.35 84.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -55.85 -50.55 70.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.9 80.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.479 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 25.3 tpp -65.6 -39.55 91.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.501 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 1.7 mt -73.09 -25.1 60.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.56 -39.99 64.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -36.59 75.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.553 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 2.4 mp -62.63 -48.65 78.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.97 33.75 1.04 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 76.8 m-85 -106.27 -25.28 12.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 110.95 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.05 21.72 8.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.35 -56.23 4.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.59 -52.66 17.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 m -62.46 -59.19 5.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.2 p -40.76 -57.81 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.989 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.65 -62.44 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -40.27 -59.37 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -42.55 -58.76 2.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.2 t -55.79 -49.41 73.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.019 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -171.45 162.92 35.58 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 161.15 39.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 m -175.03 169.59 3.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.018 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.5 t -171.3 139.81 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.035 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.477 1.11 . . . . 0.0 111.042 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.3 m 61.17 87.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -169.07 -58.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.018 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.13 65.78 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.6 p 47.69 89.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 109.954 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 p 177.7 152.27 0.25 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.97 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.52 171.52 18.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -31.97 5.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.448 1.762 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.6 mt -68.95 -74.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 t -38.98 -50.95 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.982 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.9 ttt85 -53.47 -48.55 68.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -44.14 97.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.53 98.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -59.63 -31.29 69.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.544 HD11 ' CD2' ' A' ' 75' ' ' TYR . 24.9 mt -76.46 -39.47 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.377 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.424 ' NE2' ' CG1' ' A' ' 46' ' ' VAL . 3.8 mm-40 -64.76 -36.77 85.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -81.17 -39.95 24.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.16 -26.79 64.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -79.92 -18.8 49.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mttt 68.07 23.44 8.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 6.7 mm-40 -90.23 -78.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 0.0 OUTLIER 174.84 131.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 22' ' ' LYS . 1.8 mt-10 -38.93 158.36 0.11 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.49 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -74.98 147.09 33.53 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.545 1.813 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -109.45 105.41 14.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.58 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 56.2 m-85 -88.0 135.56 33.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -134.51 134.19 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.446 HD13 ' CE ' ' A' ' 58' ' ' LYS . 12.1 tp -83.74 113.52 20.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.46 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 16.2 mt -68.96 -62.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.9 t -169.4 -178.51 3.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 2.2 pm0 -146.37 124.78 12.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.12 170.23 16.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.256 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 130.08 171.84 13.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.77 162.54 1.33 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.549 0.794 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -34.93 3.45 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.539 1.81 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -49.84 68.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -136.81 75.75 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -60.97 175.37 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -135.63 142.39 45.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -129.16 124.5 34.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' A' ' 29' ' ' LEU . 40.6 t -88.99 130.87 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.1 149.53 49.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -126.57 152.29 46.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.222 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 51' ' ' ALA . 13.1 p -139.53 130.05 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.87 118.11 32.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.49 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 20.4 t -126.5 109.99 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.34 -109.54 1.99 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -112.31 24.94 12.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -128.74 157.14 42.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -141.89 151.57 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.473 ' HB2' ' CG1' ' A' ' 44' ' ' VAL . . . -146.17 169.39 18.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 p -137.19 154.71 50.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.432 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -140.83 151.45 22.44 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 34.6 p -137.3 154.52 50.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 0.0 110.442 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.67 -172.32 42.89 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.11 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -30.57 7.0 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.484 1.781 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.09 161.38 34.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.348 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.446 ' CE ' HD13 ' A' ' 28' ' ' LEU . 8.4 ttmt -51.74 -48.38 63.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.5 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.3 mt -47.56 -50.18 8.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.91 -41.07 23.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.58 ' HD3' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.32 -50.26 41.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.37 -43.23 61.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -65.79 -33.74 76.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.432 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -60.26 -49.23 78.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.72 -41.47 99.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -53.44 -56.87 13.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.343 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.69 -47.85 63.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.466 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 30.8 tpp -54.16 -52.43 61.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.529 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 2.4 mt -62.02 -35.51 78.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.67 -38.38 89.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -38.61 62.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.14 -35.25 78.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.28 33.98 3.27 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.544 ' CD2' HD11 ' A' ' 15' ' ' ILE . 6.0 m-85 -106.12 -14.69 15.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.961 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -136.23 22.2 3.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.58 -53.42 6.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.0 p -42.89 -61.35 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 m -57.58 -53.57 56.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.2 t -41.44 -58.4 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.4 mt -40.68 -67.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.29 -63.01 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.5 -56.65 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.8 t -53.13 -49.95 65.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 171.67 129.73 1.16 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.143 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 142.28 27.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.6 t -106.93 134.42 50.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 89' ' ' GLY . 88.9 p -176.97 119.89 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' SER . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 t -59.45 142.28 52.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.81 82.45 2.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.027 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.41 -159.49 25.28 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m 63.35 163.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.75 . . . . 0.0 109.997 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.1 p -109.72 128.18 55.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.966 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.24 -179.5 45.83 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -35.21 3.25 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 110.956 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.401 HD12 ' OH ' ' A' ' 26' ' ' TYR . 39.3 mm -62.55 -68.99 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.3 -51.15 11.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -49.02 -48.7 43.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.424 ' CD1' HG22 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -63.2 -42.52 99.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.71 97.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -62.1 -30.59 71.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.58 HD12 ' CD2' ' A' ' 75' ' ' TYR . 33.0 mt -76.05 -38.69 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.41 ' OE1' ' O ' ' A' ' 22' ' ' LYS . 4.3 mm-40 -66.55 -35.57 80.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.78 -38.87 22.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.52 -26.81 63.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 49.4 mtt180 -80.54 -18.15 49.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 10.7 mttt 69.55 18.8 7.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 22.3 mm-40 -85.07 -80.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 1.3 tptt 176.88 132.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -39.13 157.5 0.12 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.503 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -75.01 146.75 32.98 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -108.34 105.65 15.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.427 ' HA ' ' O ' ' A' ' 43' ' ' GLN . 84.9 m-85 -88.34 130.73 35.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 mp -128.34 129.52 69.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.453 ' CD2' ' HG3' ' A' ' 58' ' ' LYS . 2.9 tm? -78.11 115.07 17.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.455 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 13.4 mt -72.27 -63.42 1.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 96.1 p -169.41 -175.39 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.602 ' OE1' ' CE2' ' A' ' 40' ' ' PHE . 43.8 mt-10 -148.2 107.76 3.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -154.09 163.92 39.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.18 -168.12 24.95 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 12.9 mtt -48.84 156.47 0.89 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.55 0.794 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.31 2.64 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -53.81 38.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -132.2 83.11 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -57.83 153.46 13.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 32' ' ' ARG . 0.6 OUTLIER -105.6 122.23 45.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.602 ' CE2' ' OE1' ' A' ' 31' ' ' GLU . 6.9 m-85 -101.83 133.07 47.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.455 ' CG1' ' HB2' ' A' ' 29' ' ' LEU . 21.8 t -98.53 119.03 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.81 144.35 44.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.427 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 7.4 tt0 -120.2 149.92 41.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.468 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 7.8 p -136.31 128.77 45.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.73 117.03 29.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.503 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 12.3 t -125.85 109.95 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.76 -110.89 2.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.9 25.84 11.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -130.22 157.54 42.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -141.23 153.68 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.468 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -147.9 169.43 19.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.3 p -135.29 158.1 45.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.426 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -145.93 142.16 10.35 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 72.1 p -132.03 152.59 51.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 0.783 . . . . 0.0 110.393 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -173.24 -170.08 36.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -18.48 18.68 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.473 1.775 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 14.7 p30 -149.55 158.81 44.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.453 ' HG3' ' CD2' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -46.66 -56.47 6.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' LYS . 11.8 mtmt -37.69 -76.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.454 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 96.7 mt -44.2 -49.76 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.41 -43.21 33.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -46.83 78.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.35 -42.34 73.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -71.37 -24.24 62.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.426 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -68.05 -50.49 54.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.09 89.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.326 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -56.25 -65.08 0.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.86 -49.81 5.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.471 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 18.4 tpp -50.95 -51.25 54.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.473 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 1.4 mt -59.56 -50.09 75.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.35 -42.79 61.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -38.16 78.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.551 ' HB3' ' CE1' ' A' ' 75' ' ' TYR . 90.2 mt -68.42 -22.78 64.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.58 41.4 6.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.102 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.58 ' CD2' HD12 ' A' ' 15' ' ' ILE . 5.5 m-85 -106.28 -12.83 15.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -149.62 24.34 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.53 -56.42 5.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.27 -59.83 2.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 m -54.83 -50.66 68.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 81' ' ' LEU . 32.6 t -42.31 -63.61 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.004 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 80' ' ' SER . 1.9 mt -40.3 -63.24 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 83' ' ' ASP . 2.4 mt-30 -40.55 -64.77 0.48 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.132 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 82' ' ' GLN . 3.7 t0 -40.5 -56.63 2.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.0 t -53.62 -49.95 66.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.053 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -167.03 162.3 36.11 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 140.59 25.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 84.8 p -165.54 166.62 18.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.1 t -85.28 -58.87 2.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 111.05 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 t -176.88 141.21 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 0.736 . . . . 0.0 109.991 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.93 145.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.57 81.94 1.08 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.0 p -158.28 166.1 33.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 0.745 . . . . 0.0 110.017 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.04 114.47 27.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.55 -174.61 14.04 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -29.08 8.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.784 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.2 mt -67.09 -73.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.85 -50.32 10.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.479 ' HD3' ' CD2' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -51.39 -60.71 2.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -45.54 67.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 17' ' ' GLN . . . -60.11 -44.76 94.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -59.86 -31.41 69.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.571 HD11 ' CD2' ' A' ' 75' ' ' TYR . 58.9 mt -72.82 -39.0 58.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.466 ' CB ' ' HA ' ' A' ' 23' ' ' GLU . 17.9 mm100 -60.65 -28.65 68.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 13' ' ' ALA . 1.0 OUTLIER -89.35 -46.05 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.73 -29.09 62.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -84.71 -19.86 32.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 mttt 67.75 31.59 5.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.512 ' O ' ' CD ' ' A' ' 22' ' ' LYS . 6.0 mm-40 -96.36 -75.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.512 ' CD ' ' O ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER 173.07 135.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.466 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 1.6 mt-10 -43.7 160.38 0.22 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -74.98 147.14 33.61 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.534 1.807 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.26 104.76 14.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.564 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 82.2 m-85 -87.95 134.11 33.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.5 mp -132.22 127.26 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.455 ' CD2' ' HG3' ' A' ' 58' ' ' LYS . 1.7 tm? -76.98 114.13 15.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.57 -59.77 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.09 -170.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.566 ' HG3' ' CE2' ' A' ' 40' ' ' PHE . 1.0 OUTLIER -141.05 121.38 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 ptm85 -176.47 151.07 0.93 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.279 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.5 -118.43 0.77 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.3 mmm -100.95 161.91 22.26 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.485 0.756 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.13 2.75 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.455 1.766 . . . . 0.0 111.02 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.8 mtt-85 -66.86 -57.98 5.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.251 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -131.93 84.56 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -48.25 168.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.26 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -126.98 136.17 51.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.566 ' CE2' ' HG3' ' A' ' 31' ' ' GLU . 12.5 m-85 -109.6 124.93 51.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.1 t -89.38 128.48 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.34 144.08 50.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 8.2 tt0 -120.07 151.81 38.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.463 ' CG1' ' CB ' ' A' ' 51' ' ' ALA . 11.1 p -137.9 131.14 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.57 117.48 28.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.6 t -126.01 110.28 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.55 -107.91 1.32 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -113.96 25.25 11.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -128.6 157.02 42.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -141.08 154.29 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.463 ' CB ' ' CG1' ' A' ' 44' ' ' VAL . . . -148.81 168.2 23.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.3 p -136.15 157.13 47.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.432 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.438 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -146.85 151.42 23.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 39.6 p -136.46 152.23 50.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 0.746 . . . . 0.0 110.385 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.49 -175.94 40.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -13.17 21.54 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 19.3 p30 -150.04 167.72 25.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.455 ' HG3' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -56.83 -48.8 77.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.435 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -43.15 -76.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.453 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 55.6 mt -46.6 -50.91 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.87 -38.5 10.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.564 ' HD3' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -73.91 -45.48 50.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -46.24 70.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -63.46 -36.08 82.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.438 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -62.84 -47.44 83.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.07 -38.43 88.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 70' ' ' LEU . 26.5 tt0 -59.12 -66.44 0.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.62 -49.83 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.472 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 29.4 tpp -50.54 -44.92 56.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.479 ' CD2' ' HD3' ' A' ' 11' ' ' ARG . 3.5 mt -71.33 -46.64 60.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.414 ' N ' ' CD2' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -54.37 -45.34 72.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -44.85 77.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.57 ' HB3' ' CD1' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -52.9 -42.95 65.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.9 39.48 1.71 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.571 ' CD2' HD11 ' A' ' 15' ' ' ILE . 6.1 m-85 -106.4 -15.23 14.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 111.051 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -154.86 24.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.37 -54.88 6.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.4 -56.0 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.2 p -56.01 -32.7 64.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.25 -64.94 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.8 -64.06 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -39.48 -64.61 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.7 -56.58 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.6 t -54.01 -49.88 67.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.975 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -173.87 121.55 0.85 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 163.52 35.13 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.549 1.815 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.0 98.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.979 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.1 p -132.45 -57.62 0.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.7 p -133.12 156.93 46.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.026 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.82 -60.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.986 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.53 132.28 7.41 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.85 114.95 2.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.043 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.35 108.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.975 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.93 -171.03 38.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.413 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 18.4 Cg_endo -74.96 -32.15 5.67 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.4 mt -66.97 -73.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.13 -56.14 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.454 ' CD ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -45.6 -60.29 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -51.59 -43.51 62.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.71 -42.02 87.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -62.74 -27.65 69.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.561 HD11 ' CE2' ' A' ' 75' ' ' TYR . 97.3 mt -79.28 -35.63 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.461 ' CB ' ' HA ' ' A' ' 23' ' ' GLU . 14.9 mm100 -69.5 -29.45 67.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.449 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 12.0 pt20 -89.02 -43.03 11.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.449 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -63.33 -32.33 73.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -77.37 -18.87 56.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.4 mttt 68.81 27.36 5.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 51.6 mm-40 -94.35 -75.6 0.51 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.257 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 167.98 135.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.461 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 2.6 mt-10 -39.39 159.47 0.11 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.487 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.1 Cg_endo -75.03 145.25 31.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.812 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.14 105.04 15.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.598 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 84.1 m-85 -88.01 138.93 31.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mp -135.45 132.46 51.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.466 ' CD1' ' HG2' ' A' ' 58' ' ' LYS . 13.7 tp -79.95 119.56 22.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.475 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 15.0 mt -76.33 -58.1 3.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 m -171.43 -173.63 1.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.995 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.68 105.68 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -157.03 -174.86 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.11 -150.45 18.61 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.55 159.37 0.18 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 111.013 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -54.4 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.563 1.822 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.419 ' CG ' ' N ' ' A' ' 37' ' ' ARG . 35.5 ptt-85 -88.56 -42.26 12.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.419 ' N ' ' CG ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -68.33 -51.31 45.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 37' ' ' ARG . 15.0 mmt85 58.03 156.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' ARG . 0.5 OUTLIER -137.68 118.51 14.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.331 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.566 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 53.8 m-85 -101.42 125.43 48.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.092 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.475 ' CG1' ' HB2' ' A' ' 29' ' ' LEU . 14.4 t -90.77 128.84 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.43 ' SD ' ' CD1' ' A' ' 28' ' ' LEU . 2.5 tpt -125.21 147.61 48.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 10.1 tt0 -125.45 154.94 41.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.422 ' CG1' ' HB2' ' A' ' 51' ' ' ALA . 7.9 p -140.84 131.2 27.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -121.41 126.54 49.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.535 ' CG2' ' SD ' ' A' ' 69' ' ' MET . 22.5 t -135.22 109.55 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.76 -96.26 0.18 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -123.8 0.51 8.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 0.738 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -100.88 156.75 17.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 110.246 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -144.47 153.96 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.422 ' HB2' ' CG1' ' A' ' 44' ' ' VAL . . . -150.21 171.14 17.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 p -140.46 160.13 40.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.432 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -148.65 146.96 17.03 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.6 p -136.92 148.2 46.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 110.389 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.13 -168.24 29.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -20.13 17.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.408 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -147.71 159.68 43.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.566 ' HG3' ' CD1' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -50.09 -51.59 41.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -40.34 -70.46 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 93.8 mt -52.91 -41.61 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.82 -58.39 6.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.598 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -53.64 -50.7 65.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.51 -43.48 35.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -67.49 -33.54 75.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.432 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -60.54 -55.45 33.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -54.3 -41.43 68.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.417 ' HG2' ' CD1' ' A' ' 71' ' ' LEU . 12.1 tt0 -55.26 -62.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.45 -47.17 9.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.535 ' SD ' ' CG2' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -56.12 -53.47 56.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 110.993 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.46 ' CD2' HD13 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -64.87 -33.44 76.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.417 ' CD1' ' HG2' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -66.83 -38.66 86.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.41 -38.82 62.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 69.9 mt -64.45 -32.04 73.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.18 33.42 4.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.561 ' CE2' HD11 ' A' ' 15' ' ' ILE . 5.7 m-85 -105.92 -11.73 16.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 80' ' ' SER . 0.1 OUTLIER -141.16 21.96 2.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.43 -59.76 2.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.4 m -45.3 -57.39 4.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.5 m -59.86 -56.87 16.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.392 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 76' ' ' LYS . 8.6 t -40.79 -65.31 0.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 0.0 109.957 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 mt -43.01 -67.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -38.91 -61.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -43.48 -58.96 2.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.97 -48.75 67.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -178.65 -179.3 48.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 166.58 28.88 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.9 p -174.9 133.47 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 110.027 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.1 m 59.79 167.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.97 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.6 m -113.73 129.76 56.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.02 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -86.45 88.12 7.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.88 107.85 2.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.452 1.095 . . . . 0.0 111.054 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -94.76 117.63 30.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 109.95 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.97 126.91 13.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.12 -178.13 45.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.462 ' HG2' ' HG3' ' A' ' 63' ' ' LYS . 18.3 Cg_endo -75.04 -25.71 11.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.451 1.764 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 63' ' ' LYS . 14.4 mm -73.69 -67.66 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.31 -55.03 5.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.959 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -45.33 -40.81 8.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.48 ' CD2' ' OE1' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -73.49 -48.06 36.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.57 -42.71 75.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -62.29 -26.24 68.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.572 HD12 ' CD2' ' A' ' 75' ' ' TYR . 63.5 mt -82.84 -33.52 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.48 ' OE1' ' CD2' ' A' ' 12' ' ' LEU . 14.0 mm100 -69.69 -24.93 63.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.46 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -91.04 -43.56 9.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.46 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -64.28 -32.24 73.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -78.94 -18.12 54.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 mttt 64.13 29.71 13.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 6.1 mm-40 -94.5 -71.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 165.24 137.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.417 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 51.7 mt-10 -39.27 159.35 0.11 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.477 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.5 Cg_endo -74.96 144.23 30.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.55 102.15 13.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 109.27 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.651 ' CD1' ' CG ' ' A' ' 62' ' ' LYS . 60.1 m-85 -90.88 118.72 30.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.4 mp -119.44 172.37 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 tp -112.81 117.38 32.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.464 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 10.3 mt -73.99 -56.59 4.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -171.76 -177.91 2.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -142.69 112.15 6.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -151.14 -170.35 3.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 110.293 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.98 170.05 24.22 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.544 1.153 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.4 mtm -41.03 163.04 0.1 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -38.14 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.478 1.778 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.7 -50.46 7.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -51.54 64.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 61.82 143.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 32' ' ' ARG . 4.6 tt0 -141.34 118.07 11.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.448 ' CD1' ' HA ' ' A' ' 57' ' ' ASN . 32.3 m-85 -113.5 122.43 47.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 29' ' ' LEU . 7.2 t -90.39 131.67 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.8 tpt -129.63 138.55 51.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.431 ' HG3' ' CG2' ' A' ' 52' ' ' THR . 9.5 tt0 -110.47 155.12 22.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.248 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.541 ' CG1' ' CB ' ' A' ' 51' ' ' ALA . 13.5 p -137.54 125.71 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.361 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -116.89 116.02 26.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.477 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.1 t -128.06 110.04 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.58 -113.55 4.7 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -107.92 24.54 12.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -127.83 153.77 46.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -140.96 153.76 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.541 ' CB ' ' CG1' ' A' ' 44' ' ' VAL . . . -150.57 173.05 14.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.431 ' CG2' ' HG3' ' A' ' 43' ' ' GLN . 1.4 p -147.57 155.89 42.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.41 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.422 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -152.92 148.67 19.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 72.4 p -137.24 149.02 46.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -158.96 -161.41 11.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.562 1.163 . . . . 0.0 111.049 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -16.03 20.34 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.478 ' ND2' ' N ' ' A' ' 57' ' ' ASN . 0.3 OUTLIER -156.33 157.87 36.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -49.84 -50.07 46.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.85 -63.92 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 17.9 mt -60.47 -37.28 74.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.35 -56.28 13.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.651 ' CG ' ' CD1' ' A' ' 26' ' ' TYR . 4.3 ttmm -52.52 -41.25 63.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.484 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -61.72 -42.71 99.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -68.5 -24.64 64.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.422 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -74.75 -52.42 11.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.44 -34.33 72.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -62.1 -62.79 1.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.237 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.87 -41.99 16.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.465 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 26.1 tpp -56.9 -48.75 77.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.9 mt -59.65 -44.11 93.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -57.15 -40.47 77.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -37.45 68.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.77 -40.36 95.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.98 36.06 2.43 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.456 1.098 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.572 ' CD2' HD12 ' A' ' 15' ' ' ILE . 19.4 m-85 -106.18 -16.9 14.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -141.21 19.16 2.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.38 -58.32 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.5 t -46.5 -56.24 6.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -56.95 -52.31 65.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.447 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.9 t -45.01 -60.75 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.75 -65.2 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -42.45 -63.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.77 -55.84 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.7 t -53.05 -49.52 66.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -164.23 97.62 0.15 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.477 1.11 . . . . 0.0 111.03 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.49 38.66 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.6 m 51.54 79.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.1 t -107.84 -58.15 2.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.978 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.63 -58.65 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.8 m -109.15 80.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.53 150.91 40.72 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.143 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.85 162.88 2.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 0.744 . . . . 0.0 109.956 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.73 169.58 11.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.12 165.82 15.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -28.33 9.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.2 mm -65.12 -69.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.34 -54.82 15.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.011 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.2 ttt85 -44.07 -52.99 6.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -43.0 99.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.37 -39.98 89.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -64.16 -28.87 70.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.252 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.563 HD12 ' CD2' ' A' ' 75' ' ' TYR . 50.2 mt -78.39 -36.35 20.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.422 ' NE2' HG13 ' A' ' 46' ' ' VAL . 3.8 mm-40 -66.36 -35.44 80.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.484 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 5.3 pt20 -79.43 -45.38 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.484 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -64.1 -30.41 71.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.3 mtt-85 -77.15 -18.45 57.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.25 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.7 mttt 66.19 30.13 9.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 8.0 mm-40 -96.21 -73.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 163.58 138.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 22' ' ' LYS . 5.5 mt-10 -37.89 155.72 0.1 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.463 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -75.01 143.91 29.58 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.99 105.75 17.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.578 ' CD1' ' HG3' ' A' ' 62' ' ' LYS . 85.5 m-85 -89.91 129.0 36.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.5 mp -123.62 164.88 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.415 HD11 ' N ' ' A' ' 30' ' ' SER . 2.5 tm? -108.5 110.79 22.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.479 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 9.5 mt -70.2 -59.75 2.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.415 ' N ' HD11 ' A' ' 28' ' ' LEU . 3.7 t -170.41 -166.6 0.54 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 110.028 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.468 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 0.7 OUTLIER -156.83 122.96 4.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.68 168.01 16.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.52 168.73 11.79 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.6 mtp -50.58 164.41 0.41 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -41.62 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -56.8 -54.32 47.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.238 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.21 80.34 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -57.99 -179.56 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.09 139.49 28.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -127.2 129.79 48.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 29' ' ' LEU . 20.0 t -91.23 126.75 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.0 tpt -127.53 129.88 48.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -102.51 155.14 18.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 9.1 p -141.46 127.59 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.424 ' HG3' ' CG2' ' A' ' 50' ' ' VAL . 2.0 ttmt -111.3 125.03 53.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.478 ' HB ' ' CE ' ' A' ' 69' ' ' MET . 4.3 t -128.61 110.24 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.97 -101.85 0.3 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.474 1.108 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -120.18 24.65 10.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -127.93 162.0 27.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.265 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.424 ' CG2' ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -145.2 150.42 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.463 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -146.47 166.58 25.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 p -133.97 152.4 51.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.408 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -149.53 151.09 23.25 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.3 p -134.32 159.49 40.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 110.369 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -167.94 -172.71 35.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -9.51 20.7 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.541 1.811 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -159.81 152.38 21.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.322 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -44.12 -51.49 7.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.41 -69.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.9 mt -54.48 -38.02 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.41 -56.88 9.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.578 ' HG3' ' CD1' ' A' ' 26' ' ' TYR . 5.0 ttmm -55.79 -34.56 65.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -38.02 89.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -74.86 -26.34 59.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.408 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -64.9 -55.5 18.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.5 -46.56 80.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.403 ' O ' HD23 ' A' ' 71' ' ' LEU . 22.7 tt0 -46.51 -64.42 0.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.67 -61.06 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.478 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 29.7 tpp -39.52 -53.15 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.449 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 3.2 mt -55.97 -48.86 75.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -59.52 -42.65 92.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.416 ' OE1' ' SD ' ' A' ' 69' ' ' MET . 0.7 OUTLIER -67.41 -30.78 70.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 69' ' ' MET . 62.1 mt -74.62 -34.05 62.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.41 40.17 2.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.563 ' CD2' HD12 ' A' ' 15' ' ' ILE . 5.4 m-85 -106.01 -13.26 15.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.404 ' O ' ' CD1' ' A' ' 71' ' ' LEU . 13.8 mttt -149.64 44.82 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.59 -41.12 9.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.5 t -69.35 -66.93 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 109.945 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.3 t -49.32 -31.94 10.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.382 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 84' ' ' SER . 4.2 t -68.92 -63.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.45 -32.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.416 ' N ' ' C ' ' A' ' 80' ' ' SER . 1.8 tt0 -52.38 -64.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -94.56 -54.49 3.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 80' ' ' SER . 0.1 OUTLIER -53.71 -48.2 69.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.0 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.15 175.09 14.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 175.85 10.7 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.519 1.8 . . . . 0.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.0 t -67.07 -59.6 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 61.48 96.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.971 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.147 . . . . 0.0 110.979 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 t -93.44 -58.04 2.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -178.26 147.16 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.11 156.98 12.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.549 1.155 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -125.7 -53.79 1.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 0.761 . . . . 0.0 109.98 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -98.15 102.59 14.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.966 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.14 162.8 29.93 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.46 ' HG2' ' CA ' ' A' ' 63' ' ' LYS . 18.2 Cg_endo -75.05 -28.85 8.73 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.467 1.772 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 63' ' ' LYS . 18.7 mm -62.73 -66.24 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.65 -55.95 21.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -41.9 -37.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -49.39 17.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.43 -41.83 85.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -60.05 -30.34 69.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.294 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.512 HG23 ' CZ ' ' A' ' 75' ' ' TYR . 59.4 mt -77.67 -38.33 25.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.493 ' CB ' ' HA ' ' A' ' 23' ' ' GLU . 19.2 mm100 -65.96 -38.99 90.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.427 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 11.8 pt20 -77.44 -41.81 38.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.427 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -66.42 -26.28 67.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -81.2 -20.65 40.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt 67.25 29.93 7.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 31.7 mm-40 -100.27 -77.25 0.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.357 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 1.5 tppt? 179.59 132.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.493 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 0.9 OUTLIER -46.08 162.48 0.24 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.493 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.2 Cg_endo -74.95 146.09 32.46 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.01 105.31 14.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.569 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 61.5 m-85 -87.42 135.11 33.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.15 . . . . 0.0 111.022 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -133.87 130.19 55.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.474 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 13.1 tp -78.54 117.43 19.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.464 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 14.3 mt -73.89 -62.49 1.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -166.42 -175.36 3.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.472 ' HG2' ' CD2' ' A' ' 40' ' ' PHE . 68.5 mt-10 -146.65 100.12 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -147.57 160.69 42.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 144.1 -162.91 27.82 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.4 mtm -57.78 159.8 9.26 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -40.83 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -81.26 -25.68 36.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -144.83 78.11 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.47 173.8 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.472 ' CB ' ' O ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -125.94 112.01 15.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.472 ' CD2' ' HG2' ' A' ' 31' ' ' GLU . 24.2 m-85 -96.89 120.5 37.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 29' ' ' LEU . 21.8 t -89.4 125.66 42.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.94 148.71 45.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 9.6 tt0 -124.49 152.71 43.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.444 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 12.7 p -139.2 127.27 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -116.9 119.84 36.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.493 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.1 t -127.96 109.63 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.18 -103.12 0.3 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -118.2 28.05 8.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -128.62 153.8 46.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.268 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -140.29 146.48 24.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.444 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -145.24 169.42 18.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 p -135.79 155.88 49.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.376 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.438 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -142.58 146.41 17.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.135 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.7 p -132.1 160.0 37.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 176.58 -172.2 45.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.127 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -29.08 8.58 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.52 1.8 . . . . 0.0 111.035 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -137.61 147.53 45.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.474 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 5.6 ttmt -40.04 -48.62 2.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -41.28 -76.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 63' ' ' LYS . 69.2 mt -46.86 -52.42 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.98 -37.29 8.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.569 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.13 -39.74 75.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.475 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -65.86 -39.69 90.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -67.52 -26.95 66.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.438 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -65.43 -56.28 13.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.78 -46.69 81.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.408 ' O ' HD21 ' A' ' 71' ' ' LEU . 15.7 tt0 -42.25 -64.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.8 -54.92 23.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.462 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 24.2 tpp -44.21 -37.64 3.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.463 HD23 ' CD1' ' A' ' 15' ' ' ILE . 1.3 mt -76.76 -52.94 8.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.408 HD21 ' O ' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -51.46 -46.05 62.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -67.12 -47.38 71.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.552 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -47.72 -56.53 7.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.43 39.11 0.45 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.128 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.552 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 79.4 m-85 -106.45 -23.37 12.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.753 . . . . 0.0 111.044 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.24 29.11 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.53 -59.12 2.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -44.26 -55.67 4.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.7 m -56.18 -52.32 64.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 110.408 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.1 t -46.14 -62.46 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.949 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 82' ' ' GLN . 5.8 mp -52.15 -62.89 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' LEU . 47.2 mt-30 -38.9 -61.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.53 -55.14 2.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.52 -49.97 75.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.955 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -148.35 97.44 0.18 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.426 1.079 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 159.63 40.9 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.45 1.763 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.75 -59.81 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.32 -62.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.115 . . . . 0.0 111.033 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 m -161.08 140.05 10.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.014 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.63 158.94 44.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.951 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.66 102.6 0.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -89.56 73.56 7.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 0.799 . . . . 0.0 109.965 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.7 p -168.64 127.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.152 . . . . 0.0 109.969 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.46 174.98 13.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -33.16 4.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.034 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.53 HD11 ' CZ ' ' A' ' 26' ' ' TYR . 40.4 mm -62.41 -70.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.93 -50.76 18.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.414 ' NH2' ' HB3' ' A' ' 70' ' ' LEU . 4.8 ttt180 -49.3 -50.85 37.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.75 -45.01 95.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.1 -41.89 79.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -64.11 -27.52 69.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.337 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.47 ' CD1' HD21 ' A' ' 70' ' ' LEU . 94.8 mt -79.27 -33.87 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.44 ' CB ' ' HA ' ' A' ' 23' ' ' GLU . 15.9 mm100 -72.66 -31.11 64.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.446 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 1.9 pt20 -85.59 -42.88 13.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -64.05 -33.27 75.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -75.5 -18.85 59.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.2 mttt 67.82 27.77 7.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 25.9 mm-40 -94.88 -75.58 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 170.14 133.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.44 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 1.7 mp0 -39.22 158.83 0.11 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.47 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -75.0 145.42 31.41 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.491 1.785 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.4 103.77 15.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.53 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 45.5 m-85 -89.46 135.43 33.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.403 ' O ' ' SD ' ' A' ' 42' ' ' MET . 2.6 mp -133.76 167.58 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.453 ' CD2' ' HG3' ' A' ' 58' ' ' LYS . 2.6 tm? -109.1 111.91 23.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.467 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 10.2 mt -68.25 -63.22 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.405 ' N ' HD11 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -173.16 -169.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.962 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.568 ' HG3' ' CE2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -145.25 117.25 8.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.278 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -170.84 145.06 2.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.49 53.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.5 mtt 63.55 156.08 0.12 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.754 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -27.98 9.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.82 -44.17 77.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -152.46 74.73 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.345 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -48.71 119.58 3.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -93.59 121.4 34.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.321 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 31' ' ' GLU . 5.9 m-85 -90.91 158.63 16.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 29' ' ' LEU . 23.0 t -124.83 120.94 60.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.403 ' SD ' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -115.68 147.14 41.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 111.054 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.421 ' HG3' ' CG2' ' A' ' 52' ' ' THR . 10.7 tt0 -122.22 154.9 36.9 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.426 ' CG1' ' HB1' ' A' ' 51' ' ' ALA . 10.9 p -140.38 130.44 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.17 121.72 40.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.528 ' CG2' ' SD ' ' A' ' 69' ' ' MET . 7.1 t -130.37 109.86 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.98 -106.41 0.89 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -114.95 25.02 11.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -126.7 155.68 42.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -144.25 149.43 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.426 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -146.41 168.98 19.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.421 ' CG2' ' HG3' ' A' ' 43' ' ' GLN . 1.3 p -141.47 159.16 42.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.426 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.418 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -147.89 156.48 26.95 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.5 p -135.82 159.73 40.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 0.789 . . . . 0.0 110.404 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -177.05 -172.47 41.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -21.86 15.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.798 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -142.85 161.89 36.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.453 ' HG3' ' CD2' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -52.18 -49.19 64.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -41.0 -76.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 54.2 mt -45.93 -50.49 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.18 -32.97 4.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.504 ' HD2' ' CD1' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -72.25 -48.77 40.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -41.23 79.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -61.64 -35.22 77.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.418 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -60.63 -49.76 76.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.445 ' O ' ' CD1' ' A' ' 70' ' ' LEU . . . -58.1 -44.26 87.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' O ' HD22 ' A' ' 71' ' ' LEU . 8.3 tt0 -49.36 -66.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.65 -61.43 1.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.528 ' SD ' ' CG2' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -39.03 -52.13 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 110.996 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.47 HD21 ' CD1' ' A' ' 15' ' ' ILE . 1.1 mt -64.29 -52.86 56.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.421 HD22 ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER -48.8 -45.67 40.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.453 ' CG ' ' N ' ' A' ' 73' ' ' LEU . 0.1 OUTLIER -68.91 -47.7 65.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.577 ' HB3' ' CD2' ' A' ' 75' ' ' TYR . 0.1 OUTLIER -45.45 -56.77 4.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.14 37.14 0.54 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.57 1.169 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.577 ' CD2' ' HB3' ' A' ' 73' ' ' LEU . 81.9 m-85 -106.92 -22.27 12.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 111.052 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -145.12 26.09 1.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.79 -49.61 10.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.5 m -60.08 -55.69 30.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.001 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.6 m -52.13 -45.44 64.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.383 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.9 t -42.14 -65.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.03 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 82' ' ' GLN . 0.2 OUTLIER -49.44 -61.52 2.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 81' ' ' LEU . 21.5 mt-30 -38.95 -62.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -40.5 -55.77 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 t -53.5 -50.0 66.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.014 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -97.78 -147.16 21.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 179.77 5.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.483 1.78 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 t -133.25 -57.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.013 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 m -64.22 -60.25 3.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.015 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.646 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.4 Cg_endo -75.04 -32.52 5.27 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.437 1.756 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.661 HD11 ' HA ' ' A' ' 63' ' ' LYS . 10.5 mm -63.99 -67.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 t -49.74 -53.09 27.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.951 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -46.77 -38.26 9.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.693 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.0 OUTLIER -75.42 -47.65 26.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.17 -42.95 82.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -61.4 -28.77 69.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.527 HD12 ' CD2' ' A' ' 70' ' ' LEU . 53.2 mt -79.21 -35.86 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 17.9 mm100 -68.64 -33.52 74.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.44 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 1.6 pt20 -83.73 -42.68 16.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.44 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -64.31 -31.0 72.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.435 ' HD2' HG22 ' A' ' 15' ' ' ILE . 3.4 mtt-85 -77.39 -18.76 57.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 mttt 66.1 30.83 9.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.34 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 19.8 mm-40 -99.29 -73.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 170.36 136.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -42.03 160.58 0.17 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.478 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.2 Cg_endo -74.98 150.51 38.37 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.64 104.04 12.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 66.9 m-85 -88.15 133.97 33.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 mp -132.88 131.82 59.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.539 ' C ' HD13 ' A' ' 28' ' ' LEU . 2.5 tm? -80.5 116.31 20.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.66 HD12 HG12 ' A' ' 41' ' ' VAL . 14.0 mt -73.33 -64.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.7 -170.81 2.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.551 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.551 ' CD2' ' HB3' ' A' ' 31' ' ' GLU . 15.7 m-85 -103.06 128.91 49.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.66 HG12 HD12 ' A' ' 29' ' ' LEU . 21.7 t -93.9 120.65 43.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.405 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -116.69 147.94 41.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.991 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 24.6 tt0 -123.73 150.38 44.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.908 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 14.8 p -137.36 129.73 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.671 ' HG3' HG23 ' A' ' 50' ' ' VAL . 11.2 ttmt -117.38 116.93 28.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.506 ' HB ' ' HE3' ' A' ' 69' ' ' MET . 2.6 t -125.47 110.4 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.38 -109.04 1.72 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 111.05 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -113.05 25.49 11.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 0.773 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -129.37 157.05 43.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.671 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -140.87 153.4 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.908 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -148.13 169.26 20.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.1 p -132.09 157.3 44.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.423 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -143.83 131.11 4.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.1 p -124.08 137.79 54.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.388 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -156.51 -174.76 26.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.473 1.108 . . . . 0.0 110.969 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.405 ' HD2' ' CD1' ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.99 -15.58 20.69 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.491 1.785 . . . . 0.0 111.052 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -147.85 155.71 41.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.56 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -45.95 -53.09 10.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -40.26 -73.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.405 ' CD1' ' HD2' ' A' ' 56' ' ' PRO . 65.0 mt -46.16 -48.5 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -47.26 -32.63 4.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.573 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -78.84 -45.3 21.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.661 ' HA ' HD11 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -60.56 -38.51 84.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -72.03 -24.8 61.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -65.08 -57.0 9.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.646 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -57.57 -46.9 83.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -44.32 -52.66 7.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.44 -42.47 98.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.163 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.693 ' HG2' HD11 ' A' ' 12' ' ' LEU . 27.9 tpp -59.15 -38.18 79.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.527 ' CD2' HD12 ' A' ' 15' ' ' ILE . 6.6 mt -72.82 -39.04 66.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.93 -47.81 60.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.578 ' OE1' ' HB2' ' A' ' 51' ' ' ALA . 2.9 pt20 -57.99 -33.26 68.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.492 ' HA ' HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -72.13 -38.34 69.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.89 37.04 2.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.474 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 5.9 m-85 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.559 0.8 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.654 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.2 Cg_endo -75.01 -33.29 4.68 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.49 HD11 ' HA ' ' A' ' 63' ' ' LYS . 38.0 mm -61.12 -66.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -60.66 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.026 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.6 ttt85 -39.02 -41.96 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.501 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.1 OUTLIER -72.13 -49.58 34.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.71 -46.31 77.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -58.21 -30.39 66.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.502 ' CD1' ' CD2' ' A' ' 70' ' ' LEU . 41.8 mt -77.23 -36.84 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 18.3 mm100 -67.59 -33.82 75.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 2.3 pt20 -85.34 -45.1 12.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.479 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -60.1 -32.65 71.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.482 HH12 HD22 ' A' ' 73' ' ' LEU . 15.9 mtt180 -79.54 -19.06 50.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.4 mttt 66.53 30.82 8.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 6.6 mm-40 -96.25 -73.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER 169.83 134.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.443 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 4.1 mt-10 -40.97 160.79 0.13 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.471 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -74.96 148.17 35.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.504 1.792 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.5 101.33 11.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.574 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 54.7 m-85 -88.62 131.51 34.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 28' ' ' LEU . 2.2 mp -127.85 168.24 21.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.5 ' C ' HD13 ' A' ' 28' ' ' LEU . 2.7 tm? -111.24 112.47 24.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.626 HD12 HG12 ' A' ' 41' ' ' VAL . 11.9 mt -69.96 -61.54 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.99 -171.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.578 ' HG3' ' CE2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.578 ' CE2' ' HG3' ' A' ' 31' ' ' GLU . 15.3 m-85 -108.51 139.65 42.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.626 HG12 HD12 ' A' ' 29' ' ' LEU . 17.0 t -103.35 120.09 52.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.417 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 3.8 tpt -119.07 142.74 47.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.975 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.414 ' CD ' HD21 ' A' ' 29' ' ' LEU . 11.0 tt0 -116.98 156.18 27.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.936 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 12.5 p -139.71 130.21 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.736 ' HG3' HG23 ' A' ' 50' ' ' VAL . 26.7 tttt -120.61 118.62 30.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.2 t -128.98 110.0 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.36 -110.57 2.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -110.98 24.53 12.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.783 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -127.4 155.42 43.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.736 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -142.01 154.18 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.936 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -151.26 172.63 15.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 p -142.38 160.02 41.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.428 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -151.91 146.92 16.12 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 40' ' ' PHE . 41.0 p -134.88 154.96 51.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 0.731 . . . . 0.0 110.393 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -171.89 -165.47 29.11 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.536 1.148 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.701 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.95 -27.21 10.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.453 1.765 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.481 ' OD1' HD12 ' A' ' 60' ' ' ILE . 5.0 p-10 -141.06 153.71 45.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.519 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 5.6 ttmt -48.06 -51.56 23.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' LYS . 6.9 mmtp -39.79 -62.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.701 HD12 ' HG2' ' A' ' 56' ' ' PRO . 68.3 mt -57.61 -43.74 83.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -49.0 -52.17 26.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.574 ' HG2' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -54.51 -43.92 72.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.49 ' HA ' HD11 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -59.76 -41.75 91.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -66.76 -27.17 67.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -63.11 -55.47 25.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.654 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -58.01 -47.3 83.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -46.12 -52.68 11.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.91 -39.55 94.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.501 ' HG2' HD11 ' A' ' 12' ' ' LEU . 32.5 tpp -63.1 -47.22 83.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.502 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 3.7 mt -64.28 -34.05 77.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -38.34 85.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -36.65 63.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.482 HD22 HH12 ' A' ' 19' ' ' ARG . 59.4 mt -65.72 -28.6 69.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.32 33.78 5.56 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 111.002 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.562 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.3 Cg_endo -74.99 -31.89 5.85 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.801 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.538 HD11 ' HA ' ' A' ' 63' ' ' LYS . 22.9 mm -65.12 -72.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.46 -54.91 2.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -47.8 -43.93 28.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.602 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.0 OUTLIER -67.56 -49.71 61.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.93 -42.44 80.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -61.79 -28.79 69.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.537 ' CD1' ' CD2' ' A' ' 70' ' ' LEU . 41.0 mt -78.73 -35.81 18.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.524 ' NE2' HG13 ' A' ' 46' ' ' VAL . 15.9 mm100 -67.07 -35.94 80.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.457 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 2.1 pt20 -82.06 -43.89 17.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.457 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -63.7 -29.78 70.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.092 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.518 ' HD2' HG22 ' A' ' 15' ' ' ILE . 9.3 mtt-85 -79.23 -19.74 49.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.0 mttt 68.32 25.05 7.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 59.4 mm-40 -92.32 -76.74 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 2.5 tptm 172.45 136.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -42.32 159.22 0.2 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.484 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -75.01 147.2 33.56 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.441 1.758 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.06 104.1 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.593 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 95.9 m-85 -87.87 138.83 31.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mp -134.32 131.0 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.462 ' C ' HD13 ' A' ' 28' ' ' LEU . 3.5 tm? -78.47 111.1 14.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.432 ' CD2' ' HB2' ' A' ' 43' ' ' GLN . 5.1 mt -68.5 -62.22 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.68 175.32 4.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -117.81 122.96 44.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.591 ' HA ' HG22 ' A' ' 54' ' ' THR . 10.9 t -89.59 119.8 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.539 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 4.4 tpt -116.43 143.44 45.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.452 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 29.5 tt0 -119.19 153.42 34.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.907 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 15.0 p -138.85 132.52 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.698 ' HG3' HG23 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -122.41 119.98 32.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.247 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.524 HG13 ' NE2' ' A' ' 16' ' ' GLN . 2.3 t -129.19 110.14 19.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.73 -107.97 1.37 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.564 1.165 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.58 24.98 11.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.763 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.58 156.39 42.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.698 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -142.74 154.05 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.907 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -150.64 171.46 17.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 42' ' ' MET . 1.9 p -142.3 156.13 45.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.428 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -150.85 139.7 7.41 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.591 HG22 ' HA ' ' A' ' 41' ' ' VAL . 18.7 p -128.38 151.06 49.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 110.427 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -165.12 -166.09 23.5 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.736 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.98 -20.91 16.45 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.474 1.776 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -148.85 154.72 39.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.647 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -45.98 -52.73 11.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.415 ' NZ ' ' HD2' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -39.42 -68.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.736 HD12 ' HG2' ' A' ' 56' ' ' PRO . 71.0 mt -54.61 -38.77 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -51.79 -54.36 29.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.593 ' HG2' ' CE1' ' A' ' 26' ' ' TYR . 3.7 ttmm -56.97 -46.65 82.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.538 ' HA ' HD11 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -53.97 -41.0 67.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -74.3 -23.95 59.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -65.86 -51.87 55.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.562 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -60.9 -40.52 93.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.447 ' O ' HD12 ' A' ' 71' ' ' LEU . 18.8 tt0 -48.26 -54.62 13.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.41 -41.21 93.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.602 ' HG2' HD11 ' A' ' 12' ' ' LEU . 34.3 tpp -60.62 -41.76 95.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.537 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 3.3 mt -72.58 -30.68 64.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -70.05 -41.38 74.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -38.04 78.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.569 ' HB3' ' CD1' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -64.08 -33.27 75.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.31 36.05 3.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.569 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 7.8 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.553 0.796 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.515 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.2 Cg_endo -74.96 -33.09 4.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.52 1.8 . . . . 0.0 111.045 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.485 HD13 ' HE3' ' A' ' 62' ' ' LYS . 31.6 mt -67.6 -73.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.51 -50.92 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.968 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -53.02 -46.28 68.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.458 ' HA ' HD21 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -65.86 -49.78 66.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.22 -43.28 82.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -61.16 -28.9 69.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.552 HD12 ' CD2' ' A' ' 70' ' ' LEU . 47.1 mt -78.59 -35.96 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.526 ' NE2' HG13 ' A' ' 46' ' ' VAL . 15.8 mm100 -65.87 -32.14 73.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.42 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 2.4 pt20 -88.83 -42.09 12.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -61.34 -30.52 70.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.483 ' HD2' HG22 ' A' ' 15' ' ' ILE . 6.0 mtt-85 -84.38 -18.6 35.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 mttm 67.99 28.53 6.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 46.3 mm-40 -92.04 -74.36 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER 170.01 135.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.266 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.434 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 18.0 mt-10 -42.54 159.28 0.2 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.478 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -74.99 148.56 35.5 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.5 1.79 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.77 104.16 13.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.578 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 71.4 m-85 -88.05 135.21 33.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -132.49 131.59 60.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.501 HD13 ' HG3' ' A' ' 58' ' ' LYS . 12.1 tp -80.35 115.93 20.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.77 HD12 HG12 ' A' ' 41' ' ' VAL . 20.6 mt -71.01 -64.3 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.62 -164.55 0.66 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -112.37 124.25 52.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.77 HG12 HD12 ' A' ' 29' ' ' LEU . 16.1 t -88.87 130.45 38.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.401 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -128.23 147.77 50.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.434 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 9.1 tt0 -123.72 153.77 40.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 110.351 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.898 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 14.7 p -138.86 133.05 41.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.63 ' HG3' HG23 ' A' ' 50' ' ' VAL . 1.3 ttmt -122.57 118.77 29.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.526 HG13 ' NE2' ' A' ' 16' ' ' GLN . 2.6 t -128.08 110.14 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.97 -107.68 1.29 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.104 . . . . 0.0 111.032 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -113.7 24.26 12.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -126.75 156.01 41.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.63 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -142.53 154.26 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.898 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -151.14 173.26 14.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 42' ' ' MET . 1.9 p -141.36 158.95 43.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.4 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.425 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -147.74 152.84 24.89 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.501 1.125 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 21.6 p -136.89 157.86 45.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 110.393 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.81 -172.19 42.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.481 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.1 Cg_endo -74.99 -25.12 12.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.412 ' ND2' HG13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -138.0 163.2 32.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.501 ' HG3' HD13 ' A' ' 28' ' ' LEU . 11.9 ttmt -56.52 -42.72 78.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.95 -68.32 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.481 HD12 ' HG2' ' A' ' 56' ' ' PRO . 28.4 mt -53.28 -50.74 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.12 -39.51 28.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.578 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -68.05 -48.41 65.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.443 ' HG3' HD11 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -53.74 -45.51 70.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -61.28 -34.63 75.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -60.03 -48.16 82.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.526 ' HB2' ' OH ' ' A' ' 26' ' ' TYR . . . -64.36 -36.57 84.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.59 ' HG2' HD12 ' A' ' 71' ' ' LEU . 17.7 tt0 -60.11 -54.41 46.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.73 -41.91 67.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.466 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 36.9 tpp -60.53 -50.7 72.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.552 ' CD2' HD12 ' A' ' 15' ' ' ILE . 1.9 mt -64.14 -34.09 77.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.59 HD12 ' HG2' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -67.17 -38.32 85.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.66 -38.81 62.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.2 mt -62.81 -28.77 70.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.93 34.46 5.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.432 1.083 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 110.992 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.665 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.2 Cg_endo -75.04 -34.05 4.08 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.45 1.763 . . . . 0.0 110.954 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.1 mt -65.59 -73.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -38.8 -50.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.2 ttt85 -54.35 -49.62 69.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.695 HD21 HG21 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -62.84 -42.33 99.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.05 -44.07 96.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -59.82 -27.81 66.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.704 HG22 ' HD2' ' A' ' 19' ' ' ARG . 20.4 mt -80.81 -36.9 15.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.921 ' NE2' HG13 ' A' ' 46' ' ' VAL . 4.2 mm-40 -65.49 -32.34 73.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.341 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.401 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 1.5 pt20 -85.41 -40.68 16.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.401 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -68.62 -27.65 66.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.704 ' HD2' HG22 ' A' ' 15' ' ' ILE . 49.4 mtt-85 -79.96 -17.5 52.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt 66.92 27.67 8.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 10.4 mm-40 -94.04 -73.59 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 163.61 138.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -37.91 156.62 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.506 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.2 Cg_endo -75.0 148.97 35.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -108.64 105.33 14.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.579 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 68.3 m-85 -88.55 134.19 33.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -131.22 130.43 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.672 HD13 ' HG3' ' A' ' 58' ' ' LYS . 15.6 tp -78.71 119.63 22.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.835 HD12 HG12 ' A' ' 41' ' ' VAL . 20.7 mt -77.25 -62.25 1.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.92 -178.13 4.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.947 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.501 ' CD1' ' HA ' ' A' ' 57' ' ' ASN . 13.7 m-85 -104.52 121.83 44.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.835 HG12 HD12 ' A' ' 29' ' ' LEU . 15.8 t -88.74 122.57 40.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -121.43 149.36 43.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 8.1 tt0 -124.82 152.58 43.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.883 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 14.6 p -137.53 132.05 44.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.617 ' HG3' HG23 ' A' ' 50' ' ' VAL . 2.8 ttmt -119.4 117.17 27.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.921 HG13 ' NE2' ' A' ' 16' ' ' GLN . 7.1 t -125.89 109.89 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 0.0 109.272 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.4 -109.49 1.98 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.94 24.9 12.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -128.57 157.41 41.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.617 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -142.2 155.5 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.883 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -151.22 173.57 14.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.2 p -137.55 160.51 38.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.366 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.437 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -148.1 140.14 8.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.1 p -127.8 151.98 48.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.415 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.66 -172.56 38.48 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.12 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.401 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.4 Cg_endo -75.01 -14.2 21.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.463 1.77 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.501 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 16.7 p30 -151.93 167.17 29.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.672 ' HG3' HD13 ' A' ' 28' ' ' LEU . 20.6 ttmt -55.67 -50.86 69.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 1.4 mmtt -40.76 -76.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.457 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 62.6 mt -46.83 -54.36 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.97 -39.03 5.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.63 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -68.91 -49.62 56.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.04 -46.85 72.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -60.35 -31.14 70.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -60.46 -50.47 73.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.665 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -61.05 -41.87 97.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -51.79 -58.61 5.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.69 -45.89 67.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.471 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 23.0 tpp -56.17 -48.95 75.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.572 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 3.5 mt -64.94 -31.28 72.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -37.28 75.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -37.03 65.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 75' ' ' TYR . 3.9 mp -63.0 -36.18 82.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.71 29.57 4.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.459 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 7.5 m-85 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.458 0.74 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.602 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.1 Cg_endo -75.02 -37.02 2.2 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.479 ' CD1' ' HD2' ' A' ' 62' ' ' LYS . 38.9 mm -62.07 -65.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.94 -55.65 7.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.955 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.2 ttt85 -47.35 -45.03 24.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.6 HD21 HG21 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -66.65 -49.7 65.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.75 -45.29 82.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -58.62 -29.81 66.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.526 HD12 ' CD2' ' A' ' 70' ' ' LEU . 42.5 mt -78.28 -36.71 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.447 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 17.1 mm100 -67.52 -33.68 75.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.424 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 1.4 pt20 -84.65 -41.41 16.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.424 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -66.0 -29.35 69.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.454 ' HD2' HG22 ' A' ' 15' ' ' ILE . 15.1 mtt-85 -79.72 -19.49 48.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.1 mttt 67.13 27.76 8.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -95.83 -75.09 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.241 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.28 136.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.426 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 9.5 mt-10 -42.73 160.72 0.19 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.484 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.2 Cg_endo -74.98 148.67 35.69 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -113.1 104.38 12.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.577 ' CE2' ' HG2' ' A' ' 62' ' ' LYS . 95.9 m-85 -87.05 142.13 28.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -135.93 131.61 49.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.5 tp -77.26 123.36 26.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.722 HD12 HG12 ' A' ' 41' ' ' VAL . 15.1 mt -80.34 -61.15 2.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.36 167.98 8.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.502 ' HG2' ' CD2' ' A' ' 40' ' ' PHE . 1.2 mt-10 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 30.7 tt0 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.502 ' CD2' ' HG2' ' A' ' 31' ' ' GLU . 30.5 m-85 -118.99 123.98 45.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.722 HG12 HD12 ' A' ' 29' ' ' LEU . 20.5 t -88.84 119.16 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.575 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 4.4 tpt -117.05 148.61 41.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.455 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 9.0 tt0 -121.87 154.48 37.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.835 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 8.0 p -138.87 132.41 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.723 ' HG3' HG23 ' A' ' 50' ' ' VAL . 4.3 ttmt -120.64 120.27 35.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.6 HG21 HD21 ' A' ' 12' ' ' LEU . 2.6 t -129.14 110.04 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.74 -108.33 1.51 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.16 24.69 12.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 0.777 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -127.53 156.84 41.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.723 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -142.71 154.82 17.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.835 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -151.95 175.31 12.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 42' ' ' MET . 1.8 p -143.52 157.6 44.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.423 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -144.94 151.06 23.27 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.115 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 47.4 p -137.09 149.69 47.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 110.401 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 39' ' ' GLU . . . -168.87 -165.62 26.57 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.649 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.96 -18.28 18.96 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.447 1.762 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -153.27 157.43 40.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 4.9 ttmt -49.71 -48.97 49.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 58' ' ' LYS . 3.5 mmtp -39.36 -64.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.649 HD12 ' HG2' ' A' ' 56' ' ' PRO . 76.6 mt -60.61 -41.52 88.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.575 ' HB1' ' HB2' ' A' ' 42' ' ' MET . . . -48.22 -48.74 34.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.577 ' HG2' ' CE2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -57.53 -47.91 80.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' CB ' ' HG2' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -56.66 -41.68 77.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -67.24 -28.03 67.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -65.46 -51.49 59.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.602 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -61.26 -43.5 98.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.403 ' HG2' HD12 ' A' ' 71' ' ' LEU . 22.2 tt0 -51.09 -52.52 42.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.76 -40.93 89.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.475 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 41.2 tpp -62.27 -49.78 74.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.526 ' CD2' HD12 ' A' ' 15' ' ' ILE . 2.8 mt -62.42 -35.86 80.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.403 HD12 ' HG2' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -66.46 -38.4 87.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -39.05 62.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.5 mt -62.34 -30.24 71.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.52 33.88 4.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.542 0.79 . . . . 0.0 111.042 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.658 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.3 Cg_endo -74.98 -32.26 5.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.556 HD11 ' HD2' ' A' ' 62' ' ' LYS . 41.3 mt -67.61 -73.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -38.27 -44.03 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.0 ttt85 -61.33 -49.16 78.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.581 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.1 OUTLIER -65.23 -47.71 75.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.44 -42.8 78.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -61.79 -26.88 68.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.536 HD12 ' CD2' ' A' ' 70' ' ' LEU . 61.9 mt -81.69 -34.56 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.483 ' NE2' HG13 ' A' ' 46' ' ' VAL . 15.7 mm100 -70.42 -27.05 63.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.492 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 3.1 pt20 -91.18 -46.26 8.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.492 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -59.11 -34.24 71.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.478 ' HD2' HG22 ' A' ' 15' ' ' ILE . 2.4 mtt85 -79.22 -16.39 56.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.355 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.1 mttm 63.69 31.12 14.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 11.3 mm-40 -93.19 -69.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 1.0 OUTLIER 164.24 132.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 22' ' ' LYS . 33.5 mt-10 -39.55 159.53 0.11 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.49 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.1 Cg_endo -75.04 147.7 34.12 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.538 1.809 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.27 105.22 15.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.62 ' OH ' ' HB2' ' A' ' 66' ' ' ALA . 60.5 m-85 -88.14 137.45 32.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -136.3 132.34 49.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.525 HD11 ' HD2' ' A' ' 58' ' ' LYS . 18.4 tp -79.1 123.19 27.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.457 HD12 HG12 ' A' ' 41' ' ' VAL . 13.1 mt -80.82 -61.6 1.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.232 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 t -168.74 175.91 5.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.01 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 31' ' ' GLU . 43.7 m-85 -128.82 139.32 52.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.457 HG12 HD12 ' A' ' 29' ' ' LEU . 10.3 t -100.17 136.07 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.41 149.55 52.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.421 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 8.8 tt0 -124.6 152.36 43.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 1.017 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 12.7 p -138.15 132.1 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.804 ' HG3' HG23 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -121.93 118.39 28.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.49 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.3 t -127.37 110.12 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.43 -104.94 0.62 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -117.06 24.71 11.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 0.787 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -126.36 154.7 43.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.804 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -139.41 152.75 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 1.017 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -148.8 169.02 21.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.9 p -136.53 156.18 48.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.413 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -143.19 154.29 25.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 111.044 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 73.5 p -147.01 145.92 29.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 0.807 . . . . 0.0 110.418 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -162.56 -166.69 21.78 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.526 1.142 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -24.12 13.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 16.3 p30 -140.15 168.07 20.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.525 ' HD2' HD11 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -57.11 -50.2 73.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.435 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -40.88 -76.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.473 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 51.4 mt -45.11 -50.13 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -45.1 -33.67 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.562 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -75.14 -44.33 47.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.418 ' CA ' ' HG2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -61.16 -41.05 96.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -63.68 -31.27 72.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -61.86 -56.68 16.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.658 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -56.61 -40.06 74.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.597 ' HG2' HD12 ' A' ' 71' ' ' LEU . 15.6 tt0 -54.21 -55.3 29.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.32 -46.55 72.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.581 ' HG2' HD11 ' A' ' 12' ' ' LEU . 37.8 tpp -55.52 -46.53 77.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 66' ' ' ALA . 1.1 mt -71.42 -28.74 64.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.597 HD12 ' HG2' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -73.76 -40.58 63.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.44 -38.76 65.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.248 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.583 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 2.8 mp -60.77 -45.47 94.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 117.5 30.8 1.78 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.583 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 77.8 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.742 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.617 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.3 Cg_endo -74.98 -30.94 6.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.459 1.768 . . . . 0.0 111.022 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 12' ' ' LEU . 41.3 mt -66.9 -73.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -38.67 -46.86 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.968 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -58.06 -47.25 83.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.539 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.0 OUTLIER -65.59 -49.84 67.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.084 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.31 -45.07 80.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -59.92 -29.53 68.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.546 HD12 ' CD2' ' A' ' 70' ' ' LEU . 39.8 mt -77.77 -36.1 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 18.1 mm100 -68.39 -34.59 76.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 12.9 pt20 -84.45 -45.48 12.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.479 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -60.07 -31.89 70.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.509 ' HD2' HG22 ' A' ' 15' ' ' ILE . 3.9 mtt-85 -78.9 -18.78 53.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.9 mttm 66.22 34.9 6.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 5.9 mm-40 -101.79 -72.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER 169.54 133.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.409 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 0.7 OUTLIER -42.0 160.79 0.17 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.487 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.5 Cg_endo -74.95 151.97 40.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.83 104.92 12.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.36 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.556 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 76.5 m-85 -87.97 137.85 31.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -133.58 126.75 52.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.61 HD23 ' HG3' ' A' ' 58' ' ' LYS . 2.4 tm? -77.23 113.76 15.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.737 HD12 HG12 ' A' ' 41' ' ' VAL . 18.5 mt -70.9 -61.04 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.3 -165.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.55 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.55 ' CD2' ' HB3' ' A' ' 31' ' ' GLU . 12.6 m-85 -105.34 127.11 52.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.737 HG12 HD12 ' A' ' 29' ' ' LEU . 29.8 t -93.23 121.54 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.425 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -119.22 146.33 45.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 111.014 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 25.7 tt0 -121.64 153.93 37.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.964 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 13.0 p -139.56 132.78 36.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.758 ' HG3' HG23 ' A' ' 50' ' ' VAL . 7.8 tttt -120.35 121.34 38.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.503 HG21 HD21 ' A' ' 12' ' ' LEU . 2.5 t -130.23 109.81 18.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.04 -107.69 1.17 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.426 1.079 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -113.98 26.69 10.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.282 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -129.72 157.44 42.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.758 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -141.56 154.68 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.964 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -150.28 172.51 15.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.4 p -140.66 158.26 44.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.423 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -146.63 145.86 15.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.2 p -132.21 153.22 50.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.777 . . . . 0.0 110.402 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -171.31 -168.08 32.46 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.448 1.092 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -25.76 11.49 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 16.9 p30 -139.84 168.47 19.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.61 ' HG3' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -57.06 -51.19 70.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 62' ' ' LYS . 9.6 mtmt -40.13 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.473 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 45.2 mt -44.14 -55.11 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -43.25 -33.41 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.571 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -71.04 -47.09 60.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -58.21 -44.97 88.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -61.33 -29.38 69.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.357 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -64.07 -54.71 29.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.617 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -57.07 -41.43 78.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -51.21 -60.01 3.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.42 -50.26 52.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.539 ' HG2' HD11 ' A' ' 12' ' ' LEU . 34.9 tpp -50.95 -49.15 60.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.546 ' CD2' HD12 ' A' ' 15' ' ' ILE . 5.0 mt -63.49 -38.74 92.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -40.81 97.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.243 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -39.53 64.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.561 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -59.21 -45.85 89.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.3 34.45 1.02 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 75.2 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.505 ' O ' HD11 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -74.93 -31.18 6.55 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.446 1.761 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.657 HD11 ' HA ' ' A' ' 63' ' ' LYS . 10.7 mm -63.28 -68.36 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.12 -54.47 6.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.99 -45.05 4.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.77 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.2 OUTLIER -68.77 -47.97 64.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.77 -40.37 75.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -64.83 -26.31 68.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.539 HD12 ' CD2' ' A' ' 70' ' ' LEU . 56.8 mt -82.32 -33.19 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.471 ' NE2' HG13 ' A' ' 46' ' ' VAL . 16.0 mm100 -70.86 -27.8 64.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.474 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 13.8 pt20 -89.35 -44.74 9.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.474 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -62.27 -29.47 70.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.478 ' HD2' HG22 ' A' ' 15' ' ' ILE . 4.3 mtt-85 -81.59 -19.07 42.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.4 mttt 66.15 27.72 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 6.6 mm-40 -93.1 -74.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 170.21 135.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.445 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -41.63 159.79 0.17 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.484 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -74.98 147.14 33.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.522 1.801 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.12 104.33 13.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.597 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 85.6 m-85 -87.8 135.34 33.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mp -130.23 133.87 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.574 ' C ' HD13 ' A' ' 28' ' ' LEU . 2.8 tm? -82.04 111.73 18.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.753 HD12 HG12 ' A' ' 41' ' ' VAL . 17.2 mt -68.03 -62.36 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.98 -176.58 2.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 2.1 pm0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CD2' ' HD2' ' A' ' 58' ' ' LYS . 54.0 m-85 -124.97 151.72 45.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.753 HG12 HD12 ' A' ' 29' ' ' LEU . 25.3 t -111.42 126.2 68.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.464 ' SD ' HD23 ' A' ' 28' ' ' LEU . 2.3 tpt -122.89 145.97 47.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.439 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 9.8 tt0 -124.01 153.68 40.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.992 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 10.4 p -138.47 133.21 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.811 ' HG3' HG23 ' A' ' 50' ' ' VAL . 2.1 ttmt -122.39 119.85 32.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.3 t -130.74 109.98 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.76 -108.96 1.76 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.497 1.123 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -112.83 24.47 12.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.95 155.32 43.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.811 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -141.78 154.0 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.992 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -149.73 172.87 14.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.8 p -143.47 160.03 41.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 0.0 110.387 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.436 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -148.96 152.74 24.72 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.3 p -138.62 150.17 45.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 0.777 . . . . 0.0 110.34 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.09 -173.19 37.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.635 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.96 -22.47 14.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -141.96 154.23 44.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.696 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -44.08 -52.73 6.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.91 -76.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.635 HD12 ' HG2' ' A' ' 56' ' ' PRO . 44.9 mt -43.54 -43.77 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -50.21 -55.92 13.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.597 ' HG2' ' CE1' ' A' ' 26' ' ' TYR . 3.1 ttmm -56.57 -47.39 79.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.657 ' HA ' HD11 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -52.88 -43.12 65.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -69.71 -27.72 65.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -66.46 -54.1 27.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.362 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.426 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -61.49 -41.29 97.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.428 ' O ' HD12 ' A' ' 71' ' ' LEU . 25.0 tt0 -52.42 -50.99 61.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.78 98.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.77 ' HG2' HD11 ' A' ' 12' ' ' LEU . 27.5 tpp -58.59 -41.46 85.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.539 ' CD2' HD12 ' A' ' 15' ' ' ILE . 1.9 mt -72.35 -27.77 62.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.428 HD12 ' O ' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -72.89 -40.39 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -41.63 64.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.573 ' HB3' ' CD2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -57.64 -47.48 82.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.358 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.54 34.71 0.91 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.128 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.573 ' CD2' ' HB3' ' A' ' 73' ' ' LEU . 77.4 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.753 . . . . 0.0 110.978 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.537 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.3 Cg_endo -74.98 -33.47 4.59 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.475 ' CD1' ' HD2' ' A' ' 62' ' ' LYS . 33.6 mt -68.54 -73.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.33 -45.93 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.4 ' NH2' ' O ' ' A' ' 75' ' ' TYR . 13.2 ttt180 -57.88 -44.0 86.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.669 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.1 OUTLIER -70.03 -48.76 56.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.01 -46.73 75.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -58.74 -29.2 66.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.518 HD12 ' CD2' ' A' ' 70' ' ' LEU . 53.7 mt -77.3 -37.09 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.457 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 19.3 mm100 -67.5 -35.87 79.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 1.6 pt20 -82.22 -45.28 15.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.479 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -60.9 -31.81 71.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.429 ' HD2' HG22 ' A' ' 15' ' ' ILE . 3.4 mtt-85 -78.48 -15.24 58.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 mttt 63.56 29.62 15.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 6.1 mm-40 -95.99 -71.4 0.67 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 4.4 tttp 166.19 132.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.421 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 2.8 mt-10 -39.84 160.53 0.11 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.472 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -75.0 150.91 38.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.769 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.68 105.39 14.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 63.0 m-85 -88.42 136.13 33.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -135.43 129.29 49.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.739 HD23 ' HG3' ' A' ' 58' ' ' LYS . 2.3 tm? -77.08 111.76 13.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.668 HD12 ' CG1' ' A' ' 41' ' ' VAL . 8.6 mt -65.42 -64.84 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.3 -168.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.993 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.418 ' OE1' ' CE2' ' A' ' 40' ' ' PHE . 11.3 mt-10 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.338 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 57' ' ' ASN . 24.7 m-85 -110.91 126.44 54.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.668 ' CG1' HD12 ' A' ' 29' ' ' LEU . 22.0 t -91.62 123.35 43.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.422 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -119.66 146.83 45.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.476 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 26.3 tt0 -121.72 151.35 40.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.698 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 12.8 p -139.05 130.73 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.836 ' HG3' HG23 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -117.55 118.49 32.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.499 HG21 HD21 ' A' ' 12' ' ' LEU . 2.6 t -125.09 110.01 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.46 -107.32 1.08 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -114.1 25.86 10.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -129.35 157.95 40.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.336 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.836 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -143.1 151.22 17.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.698 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -148.15 170.05 18.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.1 p -133.85 157.11 46.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.341 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.9 140.94 9.52 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.477 1.11 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.5 p -131.0 161.3 32.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.73 -158.53 21.43 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.594 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -75.03 -36.98 2.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.772 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.469 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -135.45 176.2 8.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.739 ' HG3' HD23 ' A' ' 28' ' ' LEU . 2.1 ttmm -60.19 -51.93 67.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -36.97 -78.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.594 HD12 ' HG2' ' A' ' 56' ' ' PRO . 64.9 mt -46.5 -54.27 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.72 -32.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.564 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -74.43 -46.98 36.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -56.84 -42.87 80.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -63.86 -31.84 73.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -59.02 -48.91 79.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.584 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -65.42 -42.32 92.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.544 ' HG2' HD12 ' A' ' 71' ' ' LEU . 25.9 tt0 -55.15 -51.29 66.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.26 -40.21 81.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.669 ' HG2' HD11 ' A' ' 12' ' ' LEU . 36.9 tpp -62.24 -52.91 61.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.518 ' CD2' HD12 ' A' ' 15' ' ' ILE . 1.8 mt -58.68 -38.01 77.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.544 HD12 ' HG2' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -68.78 -39.96 79.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.54 ' OE1' ' HB2' ' A' ' 51' ' ' ALA . 1.4 pt20 -71.59 -28.13 63.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.33 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.4 mt -76.59 -27.29 55.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.03 35.41 5.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.4 ' O ' ' NH2' ' A' ' 11' ' ' ARG . 5.7 m-85 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.492 ' O ' HD11 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -74.94 -29.91 7.82 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.716 HD13 ' HE3' ' A' ' 62' ' ' LYS . 43.1 mt -68.83 -74.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 t -40.95 -52.57 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -50.19 -40.28 46.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -71.15 -48.3 52.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.24 -44.72 84.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -59.66 -30.06 68.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.539 HD12 ' CD2' ' A' ' 70' ' ' LEU . 56.7 mt -76.99 -37.03 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.456 ' NE2' HG13 ' A' ' 46' ' ' VAL . 18.1 mm100 -66.35 -36.11 82.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.473 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 2.4 pt20 -82.86 -45.4 14.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.473 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -60.15 -31.54 70.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.446 ' HD2' HG22 ' A' ' 15' ' ' ILE . 12.1 mtt180 -79.52 -18.53 51.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mttm 65.81 33.52 8.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 28.6 mm-40 -100.03 -72.41 0.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 169.84 133.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -42.56 159.64 0.2 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.464 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.1 Cg_endo -75.03 148.45 35.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.452 1.764 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.07 102.11 11.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.611 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 58.7 m-85 -88.85 134.64 33.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 28' ' ' LEU . 2.3 mp -132.35 167.34 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.566 ' C ' HD13 ' A' ' 28' ' ' LEU . 2.3 tm? -110.95 112.04 23.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.2 mt -69.98 -61.99 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -168.1 -172.39 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.001 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.534 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 13.2 pt-20 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.534 ' CD1' ' HB3' ' A' ' 31' ' ' GLU . 18.7 m-85 -122.04 130.09 52.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.421 ' O ' HD22 ' A' ' 28' ' ' LEU . 6.4 t -93.79 128.91 44.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.425 ' SD ' HD23 ' A' ' 28' ' ' LEU . 2.4 tpt -125.64 139.91 53.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -113.7 155.52 25.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.694 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 7.0 p -141.94 129.43 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.782 ' HG3' HG23 ' A' ' 50' ' ' VAL . 4.2 ttmt -116.89 117.44 29.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.472 ' HB ' ' HE3' ' A' ' 69' ' ' MET . 2.5 t -123.82 110.28 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.01 -107.88 1.23 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -113.41 26.62 10.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -130.06 157.46 42.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.782 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -142.57 151.17 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.694 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -148.62 168.77 21.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.2 p -138.86 158.37 44.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.423 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -152.03 150.87 22.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.7 p -130.03 164.64 23.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 110.429 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -179.06 -179.78 48.77 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HG2' ' CD1' ' A' ' 60' ' ' ILE . 18.2 Cg_endo -74.98 -10.49 21.28 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -154.17 151.73 29.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.464 ' HD2' ' CD1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -45.33 -45.5 12.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.84 -70.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.412 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 59.1 mt -51.76 -45.96 38.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -47.26 -59.9 2.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.716 ' HE3' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -50.17 -53.11 30.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.523 ' HG3' HD11 ' A' ' 9' ' ' ILE . 1.6 mtmt -50.07 -45.58 52.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -61.85 -32.87 73.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -64.81 -49.06 72.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.511 ' HB2' ' OH ' ' A' ' 26' ' ' TYR . . . -63.74 -41.86 97.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.544 ' HG2' HD12 ' A' ' 71' ' ' LEU . 17.6 tt0 -57.64 -48.74 78.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.72 -42.89 89.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.472 ' HE3' ' HB ' ' A' ' 46' ' ' VAL . 39.8 tpp -59.66 -56.14 25.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.539 ' CD2' HD12 ' A' ' 15' ' ' ILE . 4.0 mt -53.45 -42.49 67.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.544 HD12 ' HG2' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -66.28 -39.32 89.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.581 ' OE1' ' HB2' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -72.33 -25.44 61.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.6 mt -77.17 -29.93 54.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.64 35.55 4.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.77 . . . . 0.0 110.953 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.478 ' O ' HD11 ' A' ' 70' ' ' LEU . 18.4 Cg_endo -74.96 -32.12 5.7 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.526 1.803 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.681 HD11 ' HA ' ' A' ' 63' ' ' LYS . 14.9 mm -63.34 -67.94 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.49 -55.98 4.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.004 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.36 -47.65 6.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.739 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.1 OUTLIER -66.68 -49.53 65.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.44 -43.97 72.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -62.54 -27.83 69.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.549 HD12 ' CD2' ' A' ' 70' ' ' LEU . 38.3 mt -80.45 -32.48 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.598 ' NE2' HG13 ' A' ' 46' ' ' VAL . 14.2 mm100 -71.57 -31.04 66.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.463 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 12.6 pt20 -85.83 -44.1 12.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.463 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -63.4 -32.12 73.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.538 ' HD2' HG22 ' A' ' 15' ' ' ILE . 11.6 mtt180 -77.84 -19.04 55.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.5 mttt 66.94 25.28 9.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 47.9 mm-40 -91.31 -74.66 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 169.48 134.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.44 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 3.6 mt-10 -39.94 160.23 0.11 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.486 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -75.0 145.44 31.45 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.14 101.0 10.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.652 ' CD1' ' CG ' ' A' ' 62' ' ' LYS . 73.6 m-85 -88.87 129.34 35.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 28' ' ' LEU . 2.4 mp -127.04 167.7 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.482 HD13 ' N ' ' A' ' 30' ' ' SER . 2.5 tm? -109.27 110.67 21.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.536 ' HB2' HG12 ' A' ' 41' ' ' VAL . 6.5 mt -70.76 -52.08 23.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.482 ' N ' HD13 ' A' ' 28' ' ' LEU . 0.4 OUTLIER 176.61 -170.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.443 ' OE1' HD11 ' A' ' 28' ' ' LEU . 3.9 pm0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 4.7 tm-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -111.01 126.21 54.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.536 HG12 ' HB2' ' A' ' 29' ' ' LEU . 3.2 t -88.68 124.94 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.658 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 4.4 tpt -124.78 151.61 44.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.474 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 10.1 tt0 -127.07 158.2 37.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.933 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 14.2 p -142.74 130.33 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.639 ' HG3' HG23 ' A' ' 50' ' ' VAL . 1.8 ttmt -119.23 118.54 31.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.598 HG13 ' NE2' ' A' ' 16' ' ' GLN . 2.1 t -129.88 109.92 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.87 -111.89 3.39 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -109.61 24.86 12.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 0.792 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -127.96 155.02 44.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.639 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -142.25 154.14 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.933 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -150.87 174.02 13.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 p -144.45 157.69 44.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.453 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.416 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -141.81 149.9 21.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.539 1.149 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.8 p -136.93 135.08 37.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 0.732 . . . . 0.0 110.38 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 39' ' ' GLU . . . -158.95 -175.64 30.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -21.95 15.4 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 5.9 p-10 -141.09 142.93 34.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.595 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 12.0 ttmt -39.66 -43.86 1.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.25 -65.07 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 77.2 mt -58.46 -35.75 55.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.658 ' HB1' ' HB2' ' A' ' 42' ' ' MET . . . -52.94 -55.48 23.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.652 ' CG ' ' CD1' ' A' ' 26' ' ' TYR . 5.0 ttmm -57.94 -48.84 78.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.681 ' HA ' HD11 ' A' ' 9' ' ' ILE . 1.1 mtmt -52.58 -50.68 62.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -61.04 -27.69 68.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -69.81 -55.55 9.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.459 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -58.3 -41.35 84.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.528 ' HA ' HD12 ' A' ' 70' ' ' LEU . 20.2 tt0 -55.85 -50.55 70.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.9 80.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.739 ' HG2' HD11 ' A' ' 12' ' ' LEU . 25.3 tpp -65.6 -39.55 91.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.549 ' CD2' HD12 ' A' ' 15' ' ' ILE . 1.7 mt -73.09 -25.1 60.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -73.56 -39.99 64.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -36.59 75.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.553 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 2.4 mp -62.63 -48.65 78.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.97 33.75 1.04 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 76.8 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.595 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.4 Cg_endo -74.99 -31.97 5.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.448 1.762 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.421 HD13 ' HE3' ' A' ' 62' ' ' LYS . 40.6 mt -68.95 -74.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 t -38.98 -50.95 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.982 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.9 ttt85 -53.47 -48.55 68.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.61 HD21 HG21 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -62.4 -44.14 97.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.53 98.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -59.63 -31.29 69.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.529 ' CD1' ' CD2' ' A' ' 70' ' ' LEU . 24.9 mt -76.46 -39.47 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.377 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.962 ' NE2' HG13 ' A' ' 46' ' ' VAL . 3.8 mm-40 -64.76 -36.77 85.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -81.17 -39.95 24.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.16 -26.79 64.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.437 ' HD2' HG22 ' A' ' 15' ' ' ILE . 68.5 mtt180 -79.92 -18.8 49.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 110.307 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mttt 68.07 23.44 8.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 6.7 mm-40 -90.23 -78.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.421 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 0.0 OUTLIER 174.84 131.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 22' ' ' LYS . 1.8 mt-10 -38.93 158.36 0.11 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.49 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -74.98 147.09 33.53 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.545 1.813 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -109.45 105.41 14.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.579 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 56.2 m-85 -88.0 135.56 33.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -134.51 134.19 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.612 HD13 ' HE2' ' A' ' 58' ' ' LYS . 12.1 tp -83.74 113.52 20.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.656 HD12 ' CG1' ' A' ' 41' ' ' VAL . 16.2 mt -68.96 -62.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.9 t -169.4 -178.51 3.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 2.2 pm0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -129.16 124.5 34.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.656 ' CG1' HD12 ' A' ' 29' ' ' LEU . 40.6 t -88.99 130.87 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.425 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -127.1 149.53 49.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 111.024 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 27.1 tt0 -126.57 152.29 46.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.222 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.818 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 13.1 p -139.53 130.05 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.706 ' HG3' HG23 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -115.87 118.11 32.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.962 HG13 ' NE2' ' A' ' 16' ' ' GLN . 20.4 t -126.5 109.99 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.34 -109.54 1.99 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -112.31 24.94 12.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -128.74 157.14 42.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.706 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -141.89 151.57 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.818 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -146.17 169.39 18.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 42' ' ' MET . 1.7 p -137.19 154.71 50.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.431 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -140.83 151.45 22.44 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 34.6 p -137.3 154.52 50.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 0.0 110.442 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.67 -172.32 42.89 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.11 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -30.57 7.0 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.484 1.781 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.09 161.38 34.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.348 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.612 ' HE2' HD13 ' A' ' 28' ' ' LEU . 8.4 ttmt -51.74 -48.38 63.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.5 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.3 mt -47.56 -50.18 8.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.91 -41.07 23.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.579 ' HD3' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.32 -50.26 41.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.37 -43.23 61.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -65.79 -33.74 76.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -60.26 -49.23 78.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.595 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -62.72 -41.47 99.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.445 ' HG2' HD12 ' A' ' 71' ' ' LEU . 22.0 tt0 -53.44 -56.87 13.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.343 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.69 -47.85 63.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.466 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 30.8 tpp -54.16 -52.43 61.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.529 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 2.4 mt -62.02 -35.51 78.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.445 HD12 ' HG2' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -65.67 -38.38 89.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -38.61 62.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.14 -35.25 78.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.28 33.98 3.27 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.961 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -35.21 3.25 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 110.956 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.751 HD13 ' HB2' ' A' ' 66' ' ' ALA . 39.3 mm -62.55 -68.99 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.3 -51.15 11.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -49.02 -48.7 43.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.728 HD21 HG21 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -63.2 -42.52 99.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.71 97.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -62.1 -30.59 71.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.581 HG22 ' HD2' ' A' ' 19' ' ' ARG . 33.0 mt -76.05 -38.69 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.926 ' NE2' HG13 ' A' ' 46' ' ' VAL . 4.3 mm-40 -66.55 -35.57 80.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -82.78 -38.87 22.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.52 -26.81 63.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.581 ' HD2' HG22 ' A' ' 15' ' ' ILE . 49.4 mtt180 -80.54 -18.15 49.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 10.7 mttt 69.55 18.8 7.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 22.3 mm-40 -85.07 -80.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 1.3 tptt 176.88 132.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -39.13 157.5 0.12 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.502 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -75.01 146.75 32.98 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -108.34 105.65 15.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.569 ' OH ' HG23 ' A' ' 9' ' ' ILE . 84.9 m-85 -88.34 130.73 35.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 mp -128.34 129.52 69.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.462 ' C ' HD13 ' A' ' 28' ' ' LEU . 2.9 tm? -78.11 115.07 17.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.7 HD12 HG12 ' A' ' 41' ' ' VAL . 13.4 mt -72.27 -63.42 1.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 96.1 p -169.41 -175.39 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.602 ' OE1' ' CE2' ' A' ' 40' ' ' PHE . 43.8 mt-10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.602 ' CE2' ' OE1' ' A' ' 31' ' ' GLU . 6.9 m-85 -101.83 133.07 47.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.7 HG12 HD12 ' A' ' 29' ' ' LEU . 21.8 t -98.53 119.03 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.427 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -116.81 144.35 44.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.454 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 22.5 tt0 -120.2 149.92 41.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.913 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 7.8 p -136.31 128.77 45.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.694 ' HG3' HG23 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -115.73 117.03 29.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.926 HG13 ' NE2' ' A' ' 16' ' ' GLN . 12.3 t -125.85 109.95 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.76 -110.89 2.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.9 25.84 11.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -130.22 157.54 42.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.694 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -141.23 153.68 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.913 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -147.9 169.43 19.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.3 p -135.29 158.1 45.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.426 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -145.93 142.16 10.35 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 40' ' ' PHE . 72.1 p -132.03 152.59 51.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 0.783 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -173.24 -170.08 36.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.593 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -75.01 -18.48 18.68 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.473 1.775 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 14.7 p30 -149.55 158.81 44.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -46.66 -56.47 6.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' LYS . 11.8 mtmt -37.69 -76.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.593 HD12 ' HG2' ' A' ' 56' ' ' PRO . 96.7 mt -44.2 -49.76 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -48.41 -43.21 33.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.634 ' C ' HD11 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -65.38 -46.83 78.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.35 -42.34 73.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -71.37 -24.24 62.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -68.05 -50.49 54.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.751 ' HB2' HD13 ' A' ' 9' ' ' ILE . . . -61.31 -39.09 89.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.78 ' HA ' HD12 ' A' ' 70' ' ' LEU . 19.8 tt0 -56.25 -65.08 0.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.86 -49.81 5.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.477 ' HG2' HD11 ' A' ' 12' ' ' LEU . 18.4 tpp -50.95 -51.25 54.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.78 HD12 ' HA ' ' A' ' 67' ' ' GLU . 1.4 mt -59.56 -50.09 75.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -51.35 -42.79 61.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -38.16 78.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.55 ' HB3' ' CE1' ' A' ' 75' ' ' TYR . 90.2 mt -68.42 -22.78 64.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.58 41.4 6.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.102 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.55 ' CE1' ' HB3' ' A' ' 73' ' ' LEU . 5.5 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.461 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.4 Cg_endo -74.98 -29.08 8.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.784 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.533 HD13 ' HE3' ' A' ' 62' ' ' LYS . 33.2 mt -67.09 -73.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.85 -50.32 10.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.83 ' HD3' HD22 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -51.39 -60.71 2.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.741 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.0 OUTLIER -52.88 -45.54 67.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 17' ' ' GLN . . . -60.11 -44.76 94.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -59.86 -31.41 69.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.521 HD12 ' CD2' ' A' ' 70' ' ' LEU . 58.9 mt -72.82 -39.0 58.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.479 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 17.9 mm100 -60.65 -28.65 68.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 13' ' ' ALA . 1.0 OUTLIER -89.35 -46.05 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.73 -29.09 62.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -84.71 -19.86 32.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 mttt 67.75 31.59 5.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.512 ' O ' ' CD ' ' A' ' 22' ' ' LYS . 6.0 mm-40 -96.36 -75.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.512 ' CD ' ' O ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER 173.07 135.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.448 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 1.6 mt-10 -43.7 160.38 0.22 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.472 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -74.98 147.14 33.61 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.534 1.807 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.26 104.76 14.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.564 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 82.2 m-85 -87.95 134.11 33.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.5 mp -132.22 127.26 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.455 ' CD2' ' HG3' ' A' ' 58' ' ' LYS . 1.7 tm? -76.98 114.13 15.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.485 HD12 HG12 ' A' ' 41' ' ' VAL . 12.4 mt -69.57 -59.77 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.09 -170.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.565 ' HG3' ' CE2' ' A' ' 40' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 8.6 tt0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 31' ' ' GLU . 12.5 m-85 -109.6 124.93 51.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.485 HG12 HD12 ' A' ' 29' ' ' LEU . 11.1 t -89.38 128.48 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.411 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -126.34 144.08 50.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.436 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 8.2 tt0 -120.07 151.81 38.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.956 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 11.1 p -137.9 131.14 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.689 ' HG3' HG23 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -119.57 117.48 28.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.6 t -126.01 110.28 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.55 -107.91 1.32 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -113.96 25.25 11.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -128.6 157.02 42.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.689 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -141.08 154.29 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.956 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -148.81 168.2 23.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.3 p -136.15 157.13 47.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.432 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.438 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -146.85 151.42 23.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 39.6 p -136.46 152.23 50.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 0.746 . . . . 0.0 110.385 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 39' ' ' GLU . . . -172.49 -175.94 40.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -13.17 21.54 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.471 ' ND2' HD12 ' A' ' 60' ' ' ILE . 19.3 p30 -150.04 167.72 25.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.455 ' HG3' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -56.83 -48.8 77.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.435 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -43.15 -76.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.471 HD12 ' ND2' ' A' ' 57' ' ' ASN . 55.6 mt -46.6 -50.91 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.87 -38.5 10.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.564 ' HD3' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -73.91 -45.48 50.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -46.24 70.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -63.46 -36.08 82.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.438 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -62.84 -47.44 83.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.519 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -62.07 -38.43 88.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.493 ' HA ' HD12 ' A' ' 70' ' ' LEU . 26.5 tt0 -59.12 -66.44 0.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.62 -49.83 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.741 ' HG2' HD11 ' A' ' 12' ' ' LEU . 29.4 tpp -50.54 -44.92 56.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.83 HD22 ' HD3' ' A' ' 11' ' ' ARG . 3.5 mt -71.33 -46.64 60.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -54.37 -45.34 72.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -44.85 77.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.569 ' HB3' ' CD1' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -52.9 -42.95 65.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.9 39.48 1.71 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.569 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 6.1 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 111.051 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.51 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.4 Cg_endo -74.96 -32.15 5.67 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.651 HD13 ' HE3' ' A' ' 62' ' ' LYS . 43.4 mt -66.97 -73.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -40.13 -56.14 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.869 ' CD ' HD22 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -45.6 -60.29 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.668 HD11 ' SD ' ' A' ' 69' ' ' MET . 0.2 OUTLIER -51.59 -43.51 62.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 10' ' ' SER . . . -58.71 -42.02 87.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -62.74 -27.65 69.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.503 HD12 ' CD2' ' A' ' 70' ' ' LEU . 97.3 mt -79.28 -35.63 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.612 ' NE2' HG13 ' A' ' 46' ' ' VAL . 14.9 mm100 -69.5 -29.45 67.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.449 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 12.0 pt20 -89.02 -43.03 11.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.449 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -63.33 -32.33 73.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.47 ' HD2' HG22 ' A' ' 15' ' ' ILE . 3.9 mtt-85 -77.37 -18.87 56.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.4 mttt 68.81 27.36 5.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 51.6 mm-40 -94.35 -75.6 0.51 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.257 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 167.98 135.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.439 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 2.6 mt-10 -39.39 159.47 0.11 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.486 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.1 Cg_endo -75.03 145.25 31.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.812 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.14 105.04 15.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.598 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 84.1 m-85 -88.01 138.93 31.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mp -135.45 132.46 51.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.669 HD12 ' SD ' ' A' ' 42' ' ' MET . 13.7 tp -79.95 119.56 22.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.609 HD12 HG12 ' A' ' 41' ' ' VAL . 15.0 mt -76.33 -58.1 3.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 m -171.43 -173.63 1.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.995 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.567 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 53.8 m-85 -101.42 125.43 48.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.092 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.609 HG12 HD12 ' A' ' 29' ' ' LEU . 14.4 t -90.77 128.84 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.669 ' SD ' HD12 ' A' ' 28' ' ' LEU . 2.5 tpt -125.21 147.61 48.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.445 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 10.1 tt0 -125.45 154.94 41.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.817 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 7.9 p -140.84 131.2 27.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.795 ' HG3' HG23 ' A' ' 50' ' ' VAL . 6.2 tttt -121.41 126.54 49.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.612 HG13 ' NE2' ' A' ' 16' ' ' GLN . 22.5 t -135.22 109.55 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.76 -96.26 0.18 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -123.8 0.51 8.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 0.738 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -100.88 156.75 17.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 110.246 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.795 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -144.47 153.96 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.817 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -150.21 171.14 17.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 p -140.46 160.13 40.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.432 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -148.65 146.96 17.03 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.6 p -136.92 148.2 46.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 110.389 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.13 -168.24 29.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.633 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.4 Cg_endo -75.02 -20.13 17.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.41 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -147.71 159.68 43.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.567 ' HG3' ' CD1' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -50.09 -51.59 41.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -40.34 -70.46 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.633 HD12 ' HG2' ' A' ' 56' ' ' PRO . 93.8 mt -52.91 -41.61 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -51.82 -58.39 6.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.651 ' HE3' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -53.64 -50.7 65.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HG3' HD11 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -48.51 -43.48 35.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -67.49 -33.54 75.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -60.54 -55.45 33.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.658 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -54.3 -41.43 68.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.624 ' HG2' HD12 ' A' ' 71' ' ' LEU . 12.1 tt0 -55.26 -62.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.424 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . . . -44.45 -47.17 9.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.668 ' SD ' HD11 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -56.12 -53.47 56.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 110.993 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.869 HD22 ' CD ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -64.87 -33.44 76.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.624 HD12 ' HG2' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -66.83 -38.66 86.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.41 -38.82 62.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 69.9 mt -64.45 -32.04 73.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.18 33.42 4.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.419 ' HB3' ' NH2' ' A' ' 11' ' ' ARG . 5.7 m-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.512 ' O ' ' HB1' ' A' ' 66' ' ' ALA . 18.3 Cg_endo -75.04 -25.71 11.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.451 1.764 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.681 HD11 ' HA ' ' A' ' 63' ' ' LYS . 14.4 mm -73.69 -67.66 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.31 -55.03 5.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.959 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -45.33 -40.81 8.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 66' ' ' ALA . 0.2 OUTLIER -73.49 -48.06 36.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.57 -42.71 75.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -62.29 -26.24 68.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.513 HG12 ' CE2' ' A' ' 75' ' ' TYR . 63.5 mt -82.84 -33.52 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.626 HE22 HG13 ' A' ' 46' ' ' VAL . 14.0 mm100 -69.69 -24.93 63.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.46 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -91.04 -43.56 9.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.46 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -64.28 -32.24 73.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.459 ' HD2' HG22 ' A' ' 15' ' ' ILE . 3.5 mtt-85 -78.94 -18.12 54.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 mttt 64.13 29.71 13.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 6.1 mm-40 -94.5 -71.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 165.24 137.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 22' ' ' LYS . 51.7 mt-10 -39.27 159.35 0.11 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.477 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.5 Cg_endo -74.96 144.23 30.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.55 102.15 13.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 109.27 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.651 ' CD1' ' CG ' ' A' ' 62' ' ' LYS . 60.1 m-85 -90.88 118.72 30.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.569 HG22 ' H ' ' A' ' 28' ' ' LEU . 2.4 mp -119.44 172.37 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.569 ' H ' HG22 ' A' ' 27' ' ' ILE . 13.6 tp -112.81 117.38 32.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.463 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 10.3 mt -73.99 -56.59 4.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -171.76 -177.91 2.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 57' ' ' ASN . 32.3 m-85 -113.5 122.43 47.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.651 ' HA ' HG22 ' A' ' 54' ' ' THR . 7.2 t -90.39 131.67 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.446 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 4.8 tpt -129.63 138.55 51.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.432 ' HG3' ' CG2' ' A' ' 52' ' ' THR . 9.5 tt0 -110.47 155.12 22.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.248 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 1.017 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 13.5 p -137.54 125.71 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.361 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.83 ' HG3' HG23 ' A' ' 50' ' ' VAL . 10.5 ttmt -116.89 116.02 26.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.626 HG13 HE22 ' A' ' 16' ' ' GLN . 2.1 t -128.06 110.04 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.58 -113.55 4.7 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -107.92 24.54 12.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -127.83 153.77 46.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.83 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -140.96 153.76 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 1.017 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -150.57 173.05 14.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.432 ' CG2' ' HG3' ' A' ' 43' ' ' GLN . 1.4 p -147.57 155.89 42.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.41 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.422 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -152.92 148.67 19.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.651 HG22 ' HA ' ' A' ' 41' ' ' VAL . 72.4 p -137.24 149.02 46.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.371 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -158.96 -161.41 11.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.562 1.163 . . . . 0.0 111.049 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.665 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -75.04 -16.03 20.34 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.478 ' ND2' ' N ' ' A' ' 57' ' ' ASN . 0.3 OUTLIER -156.33 157.87 36.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 10.1 ttmt -49.84 -50.07 46.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.85 -63.92 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.665 HD12 ' HG2' ' A' ' 56' ' ' PRO . 17.9 mt -60.47 -37.28 74.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -51.35 -56.28 13.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.651 ' CG ' ' CD1' ' A' ' 26' ' ' TYR . 4.3 ttmm -52.52 -41.25 63.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.681 ' HA ' HD11 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -61.72 -42.71 99.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -68.5 -24.64 64.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.422 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -74.75 -52.42 11.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.563 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -59.44 -34.33 72.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.721 ' HA ' HD12 ' A' ' 70' ' ' LEU . 24.7 tt0 -62.1 -62.79 1.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.237 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.87 -41.99 16.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.557 ' HG2' HD11 ' A' ' 12' ' ' LEU . 26.1 tpp -56.9 -48.75 77.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 67' ' ' GLU . 2.9 mt -59.65 -44.11 93.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -57.15 -40.47 77.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -37.45 68.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.77 -40.36 95.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.98 36.06 2.43 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.456 1.098 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.513 ' CE2' HG12 ' A' ' 15' ' ' ILE . 19.4 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.549 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.2 Cg_endo -75.05 -28.33 9.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.538 HD11 ' HA ' ' A' ' 63' ' ' LYS . 20.2 mm -65.12 -69.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.34 -54.82 15.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.011 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.2 ttt85 -44.07 -52.99 6.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -62.7 -43.0 99.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.37 -39.98 89.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -64.16 -28.87 70.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.252 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.578 HG22 ' HD2' ' A' ' 19' ' ' ARG . 50.2 mt -78.39 -36.35 20.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.872 ' NE2' HG13 ' A' ' 46' ' ' VAL . 3.8 mm-40 -66.36 -35.44 80.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.484 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 2.3 pt20 -79.43 -45.38 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.484 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -64.1 -30.41 71.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.578 ' HD2' HG22 ' A' ' 15' ' ' ILE . 31.3 mtt-85 -77.15 -18.45 57.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.25 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.7 mttt 66.19 30.13 9.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 8.0 mm-40 -96.21 -73.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 163.58 138.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 22' ' ' LYS . 5.5 mt-10 -37.89 155.72 0.1 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.463 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -75.01 143.91 29.58 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.99 105.75 17.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.578 ' CD1' ' HG3' ' A' ' 62' ' ' LYS . 85.5 m-85 -89.91 129.0 36.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 28' ' ' LEU . 2.5 mp -123.62 164.88 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.522 ' C ' HD13 ' A' ' 28' ' ' LEU . 2.5 tm? -108.5 110.79 22.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.566 HD12 ' CG1' ' A' ' 41' ' ' VAL . 9.5 mt -70.2 -59.75 2.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 t -170.41 -166.6 0.54 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 110.028 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.468 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 54' ' ' THR . 57.7 m-85 -127.2 129.79 48.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.566 ' CG1' HD12 ' A' ' 29' ' ' LEU . 20.0 t -91.23 126.75 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.0 tpt -127.53 129.88 48.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -102.51 155.14 18.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.518 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 9.1 p -141.46 127.59 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.796 ' HG3' HG23 ' A' ' 50' ' ' VAL . 2.0 ttmt -111.3 125.03 53.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.872 HG13 ' NE2' ' A' ' 16' ' ' GLN . 4.3 t -128.61 110.24 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.97 -101.85 0.3 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.474 1.108 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -120.18 24.65 10.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -127.93 162.0 27.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.265 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.796 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -145.2 150.42 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.518 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -146.47 166.58 25.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 p -133.97 152.4 51.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.408 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -149.53 151.09 23.25 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.513 HG22 ' HA ' ' A' ' 41' ' ' VAL . 22.3 p -134.32 159.49 40.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 110.369 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -167.94 -172.71 35.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.674 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -75.07 -9.51 20.7 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.541 1.811 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -159.81 152.38 21.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.322 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.676 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 10.6 mtpt -44.12 -51.49 7.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.41 -69.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.674 HD12 ' HG2' ' A' ' 56' ' ' PRO . 73.9 mt -54.48 -38.02 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -50.41 -56.88 9.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.578 ' HG3' ' CD1' ' A' ' 26' ' ' TYR . 5.0 ttmm -55.79 -34.56 65.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.538 ' HA ' HD11 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -64.25 -38.02 89.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -74.86 -26.34 59.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.408 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -64.9 -55.5 18.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.713 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -56.5 -46.56 80.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.702 ' HA ' HD12 ' A' ' 70' ' ' LEU . 22.7 tt0 -46.51 -64.42 0.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.67 -61.06 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.586 ' HG2' HD11 ' A' ' 12' ' ' LEU . 29.7 tpp -39.52 -53.15 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' A' ' 67' ' ' GLU . 3.2 mt -55.97 -48.86 75.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -59.52 -42.65 92.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.416 ' OE1' ' SD ' ' A' ' 69' ' ' MET . 0.7 OUTLIER -67.41 -30.78 70.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 69' ' ' MET . 62.1 mt -74.62 -34.05 62.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.41 40.17 2.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 0.0 110.999 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.631 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.2 Cg_endo -75.05 -28.85 8.73 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.467 1.772 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.599 HD11 ' HA ' ' A' ' 63' ' ' LYS . 18.7 mm -62.73 -66.24 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.65 -55.95 21.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -41.9 -37.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.682 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.0 OUTLIER -76.08 -49.39 17.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.43 -41.83 85.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -60.05 -30.34 69.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.294 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.46 ' CD1' HD23 ' A' ' 70' ' ' LEU . 59.4 mt -77.67 -38.33 25.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.482 ' CB ' ' HA ' ' A' ' 23' ' ' GLU . 19.2 mm100 -65.96 -38.99 90.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.427 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 11.8 pt20 -77.44 -41.81 38.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.427 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -66.42 -26.28 67.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -81.2 -20.65 40.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt 67.25 29.93 7.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 31.7 mm-40 -100.27 -77.25 0.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.357 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 1.5 tppt? 179.59 132.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.482 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 0.9 OUTLIER -46.08 162.48 0.24 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.492 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.2 Cg_endo -74.95 146.09 32.46 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.01 105.31 14.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.569 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 61.5 m-85 -87.42 135.11 33.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.15 . . . . 0.0 111.022 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -133.87 130.19 55.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.654 HD13 ' HG3' ' A' ' 58' ' ' LYS . 13.1 tp -78.54 117.43 19.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.7 HD12 HG12 ' A' ' 41' ' ' VAL . 14.3 mt -73.89 -62.49 1.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -166.42 -175.36 3.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.472 ' HG2' ' CD2' ' A' ' 40' ' ' PHE . 68.5 mt-10 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.472 ' CD2' ' HG2' ' A' ' 31' ' ' GLU . 24.2 m-85 -96.89 120.5 37.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.7 HG12 HD12 ' A' ' 29' ' ' LEU . 21.8 t -89.4 125.66 42.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.432 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -122.94 148.71 45.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 111.038 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.443 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 9.6 tt0 -124.49 152.71 43.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.924 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 12.7 p -139.2 127.27 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.701 ' HG3' HG23 ' A' ' 50' ' ' VAL . 10.4 ttmt -116.9 119.84 36.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.492 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.1 t -127.96 109.63 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.18 -103.12 0.3 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -118.2 28.05 8.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -128.62 153.8 46.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.268 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.701 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -140.29 146.48 24.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.924 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -145.24 169.42 18.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.0 p -135.79 155.88 49.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.376 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.438 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -142.58 146.41 17.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.135 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.7 p -132.1 160.0 37.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 176.58 -172.2 45.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.127 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.585 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -75.01 -29.08 8.58 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.52 1.8 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -137.61 147.53 45.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.654 ' HG3' HD13 ' A' ' 28' ' ' LEU . 5.6 ttmt -40.04 -48.62 2.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -41.28 -76.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.585 HD12 ' HG2' ' A' ' 56' ' ' PRO . 69.2 mt -46.86 -52.42 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.98 -37.29 8.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.569 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.13 -39.74 75.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.599 ' HA ' HD11 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -65.86 -39.69 90.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -67.52 -26.95 66.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.438 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -65.43 -56.28 13.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.635 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -56.78 -46.69 81.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.528 ' O ' HD23 ' A' ' 71' ' ' LEU . 15.7 tt0 -42.25 -64.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.8 -54.92 23.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.682 ' HG2' HD11 ' A' ' 12' ' ' LEU . 24.2 tpp -44.21 -37.64 3.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 66' ' ' ALA . 1.3 mt -76.76 -52.94 8.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.528 HD23 ' O ' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -51.46 -46.05 62.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.423 ' HG2' ' N ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -67.12 -47.38 71.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.561 HD23 ' HE2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -47.72 -56.53 7.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.43 39.11 0.45 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.128 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.561 ' HE2' HD23 ' A' ' 73' ' ' LEU . 79.4 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.753 . . . . 0.0 111.044 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.698 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.4 Cg_endo -74.99 -33.16 4.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.594 HD13 ' HB2' ' A' ' 66' ' ' ALA . 40.4 mm -62.41 -70.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.93 -50.76 18.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.629 ' NE ' HD22 ' A' ' 70' ' ' LEU . 4.8 ttt180 -49.3 -50.85 37.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.717 HD12 ' HA ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -60.75 -45.01 95.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.1 -41.89 79.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -64.11 -27.52 69.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.337 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.5 HD12 ' CD2' ' A' ' 70' ' ' LEU . 94.8 mt -79.27 -33.87 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.586 ' NE2' HG13 ' A' ' 46' ' ' VAL . 15.9 mm100 -72.66 -31.11 64.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.446 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 8.1 pt20 -85.59 -42.88 13.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -64.05 -33.27 75.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -75.5 -18.85 59.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.2 mttt 67.82 27.77 7.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 25.9 mm-40 -94.88 -75.58 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 170.14 133.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.417 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 1.7 mp0 -39.22 158.83 0.11 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.472 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -75.0 145.42 31.41 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.491 1.785 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.4 103.77 15.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.488 ' CZ ' HD12 ' A' ' 9' ' ' ILE . 45.5 m-85 -89.46 135.43 33.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 28' ' ' LEU . 2.6 mp -133.76 167.58 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.604 HD23 ' HG3' ' A' ' 58' ' ' LYS . 2.6 tm? -109.1 111.91 23.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.647 HD12 HG12 ' A' ' 41' ' ' VAL . 10.2 mt -68.25 -63.22 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.16 -169.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.962 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.569 ' HG3' ' CE2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 28.5 tt0 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.569 ' CE2' ' HG3' ' A' ' 31' ' ' GLU . 5.9 m-85 -90.91 158.63 16.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.647 HG12 HD12 ' A' ' 29' ' ' LEU . 23.0 t -124.83 120.94 60.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.409 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -115.68 147.14 41.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 111.054 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.47 ' CD ' HD21 ' A' ' 29' ' ' LEU . 10.7 tt0 -122.22 154.9 36.9 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.783 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 10.9 p -140.38 130.44 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.755 ' HG3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -119.17 121.72 40.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.586 HG13 ' NE2' ' A' ' 16' ' ' GLN . 7.1 t -130.37 109.86 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.98 -106.41 0.89 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -114.95 25.02 11.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -126.7 155.68 42.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.755 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -144.25 149.43 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.783 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -146.41 168.98 19.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.491 ' CG2' HD11 ' A' ' 29' ' ' LEU . 1.3 p -141.47 159.16 42.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.426 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.418 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -147.89 156.48 26.95 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.5 p -135.82 159.73 40.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 0.789 . . . . 0.0 110.404 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 39' ' ' GLU . . . -177.05 -172.47 41.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.465 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -75.03 -21.86 15.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.798 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -142.85 161.89 36.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.604 ' HG3' HD23 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -52.18 -49.19 64.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -41.0 -76.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.465 HD12 ' HG2' ' A' ' 56' ' ' PRO . 54.2 mt -45.93 -50.49 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -47.18 -32.97 4.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.504 ' HD2' ' CD1' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -72.25 -48.77 40.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -41.23 79.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -61.64 -35.22 77.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -60.63 -49.76 76.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.818 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -58.1 -44.26 87.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.545 ' O ' HD23 ' A' ' 71' ' ' LEU . 8.3 tt0 -49.36 -66.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.65 -61.43 1.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.698 ' SD ' HD11 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -39.03 -52.13 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 110.996 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.818 HD12 ' O ' ' A' ' 66' ' ' ALA . 1.1 mt -64.29 -52.86 56.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER -48.8 -45.67 40.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.453 ' CG ' ' N ' ' A' ' 73' ' ' LEU . 0.1 OUTLIER -68.91 -47.7 65.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.577 ' HB3' ' CD2' ' A' ' 75' ' ' TYR . 0.1 OUTLIER -45.45 -56.77 4.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.14 37.14 0.54 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.57 1.169 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.577 ' CD2' ' HB3' ' A' ' 73' ' ' LEU . 81.9 m-85 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 111.052 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 t 66.15 80.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 0.732 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.42 139.06 12.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.63 170.99 0.12 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m 59.22 165.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.937 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.8 m -62.34 129.79 42.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.96 170.57 20.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.646 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.4 Cg_endo -75.04 -32.52 5.27 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.437 1.756 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.661 HD11 ' HA ' ' A' ' 63' ' ' LYS . 10.5 mm -63.99 -67.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 t -49.74 -53.09 27.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.951 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -46.77 -38.26 9.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.693 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.0 OUTLIER -75.42 -47.65 26.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.17 -42.95 82.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -61.4 -28.77 69.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.527 HD12 ' CD2' ' A' ' 70' ' ' LEU . 53.2 mt -79.21 -35.86 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 17.9 mm100 -68.64 -33.52 74.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.44 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 1.6 pt20 -83.73 -42.68 16.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.44 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -64.31 -31.0 72.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.435 ' HD2' HG22 ' A' ' 15' ' ' ILE . 3.4 mtt-85 -77.39 -18.76 57.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 mttt 66.1 30.83 9.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.34 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 19.8 mm-40 -99.29 -73.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 170.36 136.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -42.03 160.58 0.17 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.478 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.2 Cg_endo -74.98 150.51 38.37 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.64 104.04 12.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 66.9 m-85 -88.15 133.97 33.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 mp -132.88 131.82 59.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.539 ' C ' HD13 ' A' ' 28' ' ' LEU . 2.5 tm? -80.5 116.31 20.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.66 HD12 HG12 ' A' ' 41' ' ' VAL . 14.0 mt -73.33 -64.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.7 -170.81 2.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.551 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -156.48 105.58 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.04 169.8 20.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 127.75 -171.03 19.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.6 mtt -47.22 156.9 0.55 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -39.05 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.79 -58.09 8.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -125.38 77.47 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.28 147.93 29.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -97.57 118.03 33.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.551 ' CD2' ' HB3' ' A' ' 31' ' ' GLU . 15.7 m-85 -103.06 128.91 49.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.66 HG12 HD12 ' A' ' 29' ' ' LEU . 21.7 t -93.9 120.65 43.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.405 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -116.69 147.94 41.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.991 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 24.6 tt0 -123.73 150.38 44.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.908 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 14.8 p -137.36 129.73 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.671 ' HG3' HG23 ' A' ' 50' ' ' VAL . 11.2 ttmt -117.38 116.93 28.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.506 ' HB ' ' HE3' ' A' ' 69' ' ' MET . 2.6 t -125.47 110.4 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.38 -109.04 1.72 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 111.05 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -113.05 25.49 11.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 0.773 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -129.37 157.05 43.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.671 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -140.87 153.4 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.908 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -148.13 169.26 20.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.1 p -132.09 157.3 44.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.423 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -143.83 131.11 4.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.1 p -124.08 137.79 54.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.388 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -156.51 -174.76 26.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.473 1.108 . . . . 0.0 110.969 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.405 ' HD2' ' CD1' ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.99 -15.58 20.69 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.491 1.785 . . . . 0.0 111.052 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -147.85 155.71 41.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.56 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -45.95 -53.09 10.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -40.26 -73.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.405 ' CD1' ' HD2' ' A' ' 56' ' ' PRO . 65.0 mt -46.16 -48.5 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -47.26 -32.63 4.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.573 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -78.84 -45.3 21.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.661 ' HA ' HD11 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -60.56 -38.51 84.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -72.03 -24.8 61.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -65.08 -57.0 9.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.646 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -57.57 -46.9 83.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -44.32 -52.66 7.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.44 -42.47 98.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.163 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.693 ' HG2' HD11 ' A' ' 12' ' ' LEU . 27.9 tpp -59.15 -38.18 79.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.527 ' CD2' HD12 ' A' ' 15' ' ' ILE . 6.6 mt -72.82 -39.04 66.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.93 -47.81 60.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.578 ' OE1' ' HB2' ' A' ' 51' ' ' ALA . 2.9 pt20 -57.99 -33.26 68.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.492 ' HA ' HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -72.13 -38.34 69.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.89 37.04 2.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.474 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 5.9 m-85 -104.47 -13.38 16.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 0.8 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -137.33 29.06 2.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.24 -47.4 10.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.65 -59.06 3.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.9 m -55.94 -51.09 68.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.01 -65.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 mt -50.46 -54.94 18.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -42.44 -50.06 5.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -60.54 -52.7 64.08 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.4 t -53.02 -37.49 61.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -174.76 156.89 23.7 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -62.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.8 m 42.86 81.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.7 p -84.71 98.09 10.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.427 1.079 . . . . 0.0 111.013 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t 64.82 121.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.43 98.31 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.974 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.06 -113.15 0.54 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.544 1.152 . . . . 0.0 110.975 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.07 -67.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.743 . . . . 0.0 110.027 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.6 p -73.66 130.4 39.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 109.98 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.82 170.33 43.43 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.561 1.163 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.654 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.2 Cg_endo -75.01 -33.29 4.68 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.49 HD11 ' HA ' ' A' ' 63' ' ' LYS . 38.0 mm -61.12 -66.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -60.66 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.026 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.6 ttt85 -39.02 -41.96 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.501 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.1 OUTLIER -72.13 -49.58 34.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.71 -46.31 77.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -58.21 -30.39 66.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.502 ' CD1' ' CD2' ' A' ' 70' ' ' LEU . 41.8 mt -77.23 -36.84 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 18.3 mm100 -67.59 -33.82 75.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 2.3 pt20 -85.34 -45.1 12.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.479 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -60.1 -32.65 71.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.482 HH12 HD22 ' A' ' 73' ' ' LEU . 15.9 mtt180 -79.54 -19.06 50.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.4 mttt 66.53 30.82 8.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 6.6 mm-40 -96.25 -73.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER 169.83 134.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.443 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 4.1 mt-10 -40.97 160.79 0.13 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.471 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -74.96 148.17 35.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.504 1.792 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.5 101.33 11.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.574 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 54.7 m-85 -88.62 131.51 34.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 28' ' ' LEU . 2.2 mp -127.85 168.24 21.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.5 ' C ' HD13 ' A' ' 28' ' ' LEU . 2.7 tm? -111.24 112.47 24.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.626 HD12 HG12 ' A' ' 41' ' ' VAL . 11.9 mt -69.96 -61.54 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.99 -171.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.578 ' HG3' ' CE2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -139.86 120.81 14.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.307 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.36 171.59 5.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 138.58 -113.3 0.94 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.457 ' CB ' ' HB2' ' A' ' 37' ' ' ARG . 3.5 mmt -82.05 163.89 50.98 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.474 0.749 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -39.54 1.16 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.471 1.774 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -102.08 -45.99 4.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.457 ' HB2' ' CB ' ' A' ' 34' ' ' MET . 1.5 mtt180 -60.74 -53.14 61.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 56.74 109.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.3 140.74 31.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.578 ' CE2' ' HG3' ' A' ' 31' ' ' GLU . 15.3 m-85 -108.51 139.65 42.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.626 HG12 HD12 ' A' ' 29' ' ' LEU . 17.0 t -103.35 120.09 52.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.417 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 3.8 tpt -119.07 142.74 47.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.975 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.414 ' CD ' HD21 ' A' ' 29' ' ' LEU . 11.0 tt0 -116.98 156.18 27.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.936 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 12.5 p -139.71 130.21 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.736 ' HG3' HG23 ' A' ' 50' ' ' VAL . 26.7 tttt -120.61 118.62 30.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.2 t -128.98 110.0 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.36 -110.57 2.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -110.98 24.53 12.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.783 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -127.4 155.42 43.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.736 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -142.01 154.18 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.936 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -151.26 172.63 15.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 p -142.38 160.02 41.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.428 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -151.91 146.92 16.12 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 40' ' ' PHE . 41.0 p -134.88 154.96 51.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 0.731 . . . . 0.0 110.393 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -171.89 -165.47 29.11 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.536 1.148 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.701 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.95 -27.21 10.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.453 1.765 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.481 ' OD1' HD12 ' A' ' 60' ' ' ILE . 5.0 p-10 -141.06 153.71 45.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.519 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 5.6 ttmt -48.06 -51.56 23.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' LYS . 6.9 mmtp -39.79 -62.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.701 HD12 ' HG2' ' A' ' 56' ' ' PRO . 68.3 mt -57.61 -43.74 83.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -49.0 -52.17 26.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.574 ' HG2' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -54.51 -43.92 72.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.49 ' HA ' HD11 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -59.76 -41.75 91.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -66.76 -27.17 67.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -63.11 -55.47 25.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.654 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -58.01 -47.3 83.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -46.12 -52.68 11.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.91 -39.55 94.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.501 ' HG2' HD11 ' A' ' 12' ' ' LEU . 32.5 tpp -63.1 -47.22 83.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.502 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 3.7 mt -64.28 -34.05 77.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.723 HD21 ' HB2' ' A' ' 80' ' ' SER . 0.3 OUTLIER -67.02 -38.34 85.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -36.65 63.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.482 HD22 HH12 ' A' ' 19' ' ' ARG . 59.4 mt -65.72 -28.6 69.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.32 33.78 5.56 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -106.16 -13.65 15.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -135.93 22.19 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.08 -53.07 7.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.338 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.4 m -44.77 -60.37 2.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -57.84 -53.95 52.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.723 ' HB2' HD21 ' A' ' 71' ' ' LEU . 43.5 t -44.33 -60.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.963 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 tp -44.91 -63.74 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -39.78 -60.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -43.26 -53.17 5.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.63 -50.08 66.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.64 152.68 24.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.46 1.1 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -47.84 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.54 1.81 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.8 m -134.4 145.29 48.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.051 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 93.2 p -128.96 95.37 4.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.977 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.79 80.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.995 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.83 86.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.022 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.4 116.4 0.49 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.66 165.44 21.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 0.791 . . . . 0.0 110.009 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.22 155.16 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.965 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.36 157.5 7.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.562 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.3 Cg_endo -74.99 -31.89 5.85 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.801 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.538 HD11 ' HA ' ' A' ' 63' ' ' LYS . 22.9 mm -65.12 -72.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.46 -54.91 2.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -47.8 -43.93 28.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.602 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.0 OUTLIER -67.56 -49.71 61.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.93 -42.44 80.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -61.79 -28.79 69.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.537 ' CD1' ' CD2' ' A' ' 70' ' ' LEU . 41.0 mt -78.73 -35.81 18.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.524 ' NE2' HG13 ' A' ' 46' ' ' VAL . 15.9 mm100 -67.07 -35.94 80.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.457 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 2.1 pt20 -82.06 -43.89 17.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.457 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -63.7 -29.78 70.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.092 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.518 ' HD2' HG22 ' A' ' 15' ' ' ILE . 9.3 mtt-85 -79.23 -19.74 49.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.0 mttt 68.32 25.05 7.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 59.4 mm-40 -92.32 -76.74 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 2.5 tptm 172.45 136.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -42.32 159.22 0.2 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.484 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -75.01 147.2 33.56 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.441 1.758 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.06 104.1 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.593 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 95.9 m-85 -87.87 138.83 31.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mp -134.32 131.0 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.462 ' C ' HD13 ' A' ' 28' ' ' LEU . 3.5 tm? -78.47 111.1 14.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.432 ' CD2' ' HB2' ' A' ' 43' ' ' GLN . 5.1 mt -68.5 -62.22 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.68 175.32 4.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -142.65 139.37 31.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER 179.14 -173.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.96 161.26 18.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.128 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.8 mtp -46.2 158.55 0.37 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -25.65 11.68 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.487 1.783 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -69.77 -38.11 76.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -143.34 75.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.415 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -54.26 161.93 1.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 110.302 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 32' ' ' ARG . 15.4 tt0 -135.87 122.21 20.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -117.81 122.96 44.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.591 ' HA ' HG22 ' A' ' 54' ' ' THR . 10.9 t -89.59 119.8 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.539 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 4.4 tpt -116.43 143.44 45.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.452 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 29.5 tt0 -119.19 153.42 34.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.907 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 15.0 p -138.85 132.52 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.698 ' HG3' HG23 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -122.41 119.98 32.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.247 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.524 HG13 ' NE2' ' A' ' 16' ' ' GLN . 2.3 t -129.19 110.14 19.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.73 -107.97 1.37 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.564 1.165 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.58 24.98 11.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.763 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.58 156.39 42.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.698 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -142.74 154.05 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.907 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -150.64 171.46 17.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 42' ' ' MET . 1.9 p -142.3 156.13 45.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.428 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -150.85 139.7 7.41 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.591 HG22 ' HA ' ' A' ' 41' ' ' VAL . 18.7 p -128.38 151.06 49.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 110.427 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -165.12 -166.09 23.5 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.736 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.98 -20.91 16.45 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.474 1.776 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -148.85 154.72 39.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.647 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -45.98 -52.73 11.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.415 ' NZ ' ' HD2' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -39.42 -68.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.736 HD12 ' HG2' ' A' ' 56' ' ' PRO . 71.0 mt -54.61 -38.77 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -51.79 -54.36 29.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.593 ' HG2' ' CE1' ' A' ' 26' ' ' TYR . 3.7 ttmm -56.97 -46.65 82.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.538 ' HA ' HD11 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -53.97 -41.0 67.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -74.3 -23.95 59.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -65.86 -51.87 55.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.562 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -60.9 -40.52 93.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.447 ' O ' HD12 ' A' ' 71' ' ' LEU . 18.8 tt0 -48.26 -54.62 13.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.41 -41.21 93.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.602 ' HG2' HD11 ' A' ' 12' ' ' LEU . 34.3 tpp -60.62 -41.76 95.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.537 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 3.3 mt -72.58 -30.68 64.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' A' ' 80' ' ' SER . 0.3 OUTLIER -70.05 -41.38 74.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -38.04 78.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.569 ' HB3' ' CD1' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -64.08 -33.27 75.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.31 36.05 3.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.569 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 7.8 m-85 -106.15 -13.78 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 0.796 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.09 22.98 2.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.93 -52.77 8.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.7 -61.8 0.89 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.5 m -56.99 -52.58 64.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.401 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.458 ' HB2' HD21 ' A' ' 71' ' ' LEU . 22.6 t -41.24 -64.36 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.011 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.35 -63.25 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -39.96 -61.64 0.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -40.5 -56.61 2.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.03 -49.98 65.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -147.46 97.44 0.18 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.542 1.151 . . . . 0.0 111.05 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -56.78 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.535 1.808 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.3 t 45.43 80.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.8 m -111.75 132.7 54.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 p -157.82 132.08 8.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.2 p -169.46 164.54 10.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.81 112.27 0.87 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.522 1.139 . . . . 0.0 111.043 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.48 163.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 110.02 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 p -39.84 138.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.976 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.17 165.7 38.96 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.445 1.091 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.515 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.2 Cg_endo -74.96 -33.09 4.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.52 1.8 . . . . 0.0 111.045 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.485 HD13 ' HE3' ' A' ' 62' ' ' LYS . 31.6 mt -67.6 -73.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.51 -50.92 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.968 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -53.02 -46.28 68.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.458 ' HA ' HD21 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -65.86 -49.78 66.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.22 -43.28 82.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -61.16 -28.9 69.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.552 HD12 ' CD2' ' A' ' 70' ' ' LEU . 47.1 mt -78.59 -35.96 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.526 ' NE2' HG13 ' A' ' 46' ' ' VAL . 15.8 mm100 -65.87 -32.14 73.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.42 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 2.4 pt20 -88.83 -42.09 12.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -61.34 -30.52 70.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.483 ' HD2' HG22 ' A' ' 15' ' ' ILE . 6.0 mtt-85 -84.38 -18.6 35.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 mttm 67.99 28.53 6.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 46.3 mm-40 -92.04 -74.36 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER 170.01 135.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.266 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.434 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 18.0 mt-10 -42.54 159.28 0.2 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.478 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -74.99 148.56 35.5 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.5 1.79 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.77 104.16 13.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.578 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 71.4 m-85 -88.05 135.21 33.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -132.49 131.59 60.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.501 HD13 ' HG3' ' A' ' 58' ' ' LYS . 12.1 tp -80.35 115.93 20.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.77 HD12 HG12 ' A' ' 41' ' ' VAL . 20.6 mt -71.01 -64.3 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.62 -164.55 0.66 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' OE1' ' N ' ' A' ' 32' ' ' ARG . 0.5 OUTLIER -149.64 114.33 5.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.402 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -167.87 159.21 11.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 38' ' ' ARG . . . 135.95 53.8 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.435 ' O ' ' N ' ' A' ' 38' ' ' ARG . 4.6 mmm 63.85 154.51 0.12 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.401 ' HA ' ' HG2' ' A' ' 38' ' ' ARG . 18.4 Cg_endo -74.94 -35.75 3.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.528 1.804 . . . . 0.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.1 mtt-85 -68.45 -48.93 63.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -83.42 -57.57 3.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER 57.46 103.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.63 136.4 49.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.085 . . . . 0.0 110.269 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -112.37 124.25 52.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.77 HG12 HD12 ' A' ' 29' ' ' LEU . 16.1 t -88.87 130.45 38.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.401 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -128.23 147.77 50.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.434 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 9.1 tt0 -123.72 153.77 40.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 110.351 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.898 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 14.7 p -138.86 133.05 41.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.63 ' HG3' HG23 ' A' ' 50' ' ' VAL . 1.3 ttmt -122.57 118.77 29.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.526 HG13 ' NE2' ' A' ' 16' ' ' GLN . 2.6 t -128.08 110.14 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.97 -107.68 1.29 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.104 . . . . 0.0 111.032 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -113.7 24.26 12.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -126.75 156.01 41.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.63 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -142.53 154.26 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.898 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -151.14 173.26 14.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 42' ' ' MET . 1.9 p -141.36 158.95 43.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.4 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.425 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -147.74 152.84 24.89 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.501 1.125 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 21.6 p -136.89 157.86 45.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 110.393 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.81 -172.19 42.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.481 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.1 Cg_endo -74.99 -25.12 12.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.412 ' ND2' HG13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -138.0 163.2 32.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.501 ' HG3' HD13 ' A' ' 28' ' ' LEU . 11.9 ttmt -56.52 -42.72 78.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.95 -68.32 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.481 HD12 ' HG2' ' A' ' 56' ' ' PRO . 28.4 mt -53.28 -50.74 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.12 -39.51 28.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.578 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -68.05 -48.41 65.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.443 ' HG3' HD11 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -53.74 -45.51 70.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -61.28 -34.63 75.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -60.03 -48.16 82.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.526 ' HB2' ' OH ' ' A' ' 26' ' ' TYR . . . -64.36 -36.57 84.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.59 ' HG2' HD12 ' A' ' 71' ' ' LEU . 17.7 tt0 -60.11 -54.41 46.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.73 -41.91 67.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.466 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 36.9 tpp -60.53 -50.7 72.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.552 ' CD2' HD12 ' A' ' 15' ' ' ILE . 1.9 mt -64.14 -34.09 77.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.675 HD21 ' HB2' ' A' ' 80' ' ' SER . 0.3 OUTLIER -67.17 -38.32 85.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.66 -38.81 62.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.2 mt -62.81 -28.77 70.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.93 34.46 5.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.432 1.083 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -106.18 -14.1 15.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.08 21.27 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.1 -53.35 7.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.19 -58.14 3.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.5 m -59.28 -55.75 30.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 110.401 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.675 ' HB2' HD21 ' A' ' 71' ' ' LEU . 42.4 t -41.48 -61.47 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.02 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mt -49.21 -62.5 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -61.25 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -40.51 -57.03 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.5 t -54.62 -49.91 69.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.98 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -175.56 156.36 21.82 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 164.8 32.52 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.46 1.769 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 79.8 p -170.12 164.33 9.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 110.009 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.3 t -157.74 139.58 14.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -154.66 143.32 20.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 0.728 . . . . 0.0 110.006 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.82 120.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.16 168.61 24.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.7 m 53.02 83.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.744 . . . . 0.0 109.976 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 p -42.22 123.55 2.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.93 178.09 29.4 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.665 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.2 Cg_endo -75.04 -34.05 4.08 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.45 1.763 . . . . 0.0 110.954 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.1 mt -65.59 -73.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -38.8 -50.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.2 ttt85 -54.35 -49.62 69.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.695 HD21 HG21 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -62.84 -42.33 99.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.05 -44.07 96.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -59.82 -27.81 66.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.704 HG22 ' HD2' ' A' ' 19' ' ' ARG . 20.4 mt -80.81 -36.9 15.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.921 ' NE2' HG13 ' A' ' 46' ' ' VAL . 4.2 mm-40 -65.49 -32.34 73.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.341 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.401 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 1.5 pt20 -85.41 -40.68 16.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.401 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -68.62 -27.65 66.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.704 ' HD2' HG22 ' A' ' 15' ' ' ILE . 49.4 mtt-85 -79.96 -17.5 52.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt 66.92 27.67 8.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 10.4 mm-40 -94.04 -73.59 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 163.61 138.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -37.91 156.62 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.506 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.2 Cg_endo -75.0 148.97 35.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -108.64 105.33 14.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.579 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 68.3 m-85 -88.55 134.19 33.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -131.22 130.43 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.672 HD13 ' HG3' ' A' ' 58' ' ' LYS . 15.6 tp -78.71 119.63 22.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.835 HD12 HG12 ' A' ' 41' ' ' VAL . 20.7 mt -77.25 -62.25 1.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.92 -178.13 4.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.947 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -148.28 102.79 3.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -146.66 168.39 21.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 133.22 163.76 10.6 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.47 159.43 0.29 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.454 0.738 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -27.98 9.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -77.79 -29.75 50.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.45 78.12 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -61.53 -179.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' ARG . 10.0 tt0 -145.72 117.68 8.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.501 ' CD1' ' HA ' ' A' ' 57' ' ' ASN . 13.7 m-85 -104.52 121.83 44.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.835 HG12 HD12 ' A' ' 29' ' ' LEU . 15.8 t -88.74 122.57 40.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -121.43 149.36 43.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 8.1 tt0 -124.82 152.58 43.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.883 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 14.6 p -137.53 132.05 44.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.617 ' HG3' HG23 ' A' ' 50' ' ' VAL . 2.8 ttmt -119.4 117.17 27.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.921 HG13 ' NE2' ' A' ' 16' ' ' GLN . 7.1 t -125.89 109.89 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 0.0 109.272 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.4 -109.49 1.98 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.94 24.9 12.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -128.57 157.41 41.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.617 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -142.2 155.5 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.883 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -151.22 173.57 14.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.2 p -137.55 160.51 38.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.366 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.437 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -148.1 140.14 8.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.1 p -127.8 151.98 48.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.415 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.66 -172.56 38.48 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.12 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.401 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.4 Cg_endo -75.01 -14.2 21.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.463 1.77 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.501 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 16.7 p30 -151.93 167.17 29.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.672 ' HG3' HD13 ' A' ' 28' ' ' LEU . 20.6 ttmt -55.67 -50.86 69.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 1.4 mmtt -40.76 -76.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.457 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 62.6 mt -46.83 -54.36 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.97 -39.03 5.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.63 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -68.91 -49.62 56.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.04 -46.85 72.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -60.35 -31.14 70.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -60.46 -50.47 73.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.665 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -61.05 -41.87 97.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -51.79 -58.61 5.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.69 -45.89 67.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.471 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 23.0 tpp -56.17 -48.95 75.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.572 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 3.5 mt -64.94 -31.28 72.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -37.28 75.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -37.03 65.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 75' ' ' TYR . 3.9 mp -63.0 -36.18 82.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.71 29.57 4.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.459 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 7.5 m-85 -101.43 -14.59 17.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 0.74 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.09 23.25 2.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.83 -50.9 9.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.6 m -43.05 -58.74 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.5 m -58.58 -52.84 63.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.5 t -41.62 -61.23 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.74 -57.12 13.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -40.39 -56.7 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -57.36 -47.43 81.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.2 t -54.98 -43.8 73.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.047 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -155.44 148.33 18.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -61.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 71.7 p -136.53 157.99 45.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.1 p 176.81 78.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.976 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 t -178.7 114.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 0.797 . . . . 0.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -54.24 164.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.99 133.07 7.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m 56.69 104.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.787 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 m 50.46 91.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.0 152.94 16.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.602 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.1 Cg_endo -75.02 -37.02 2.2 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.479 ' CD1' ' HD2' ' A' ' 62' ' ' LYS . 38.9 mm -62.07 -65.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.94 -55.65 7.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.955 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.2 ttt85 -47.35 -45.03 24.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.6 HD21 HG21 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -66.65 -49.7 65.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.75 -45.29 82.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -58.62 -29.81 66.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.526 HD12 ' CD2' ' A' ' 70' ' ' LEU . 42.5 mt -78.28 -36.71 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.447 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 17.1 mm100 -67.52 -33.68 75.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.424 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 1.4 pt20 -84.65 -41.41 16.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.424 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -66.0 -29.35 69.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.454 ' HD2' HG22 ' A' ' 15' ' ' ILE . 15.1 mtt-85 -79.72 -19.49 48.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.1 mttt 67.13 27.76 8.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -95.83 -75.09 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.241 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.28 136.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.426 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 9.5 mt-10 -42.73 160.72 0.19 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.484 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.2 Cg_endo -74.98 148.67 35.69 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -113.1 104.38 12.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.577 ' CE2' ' HG2' ' A' ' 62' ' ' LYS . 95.9 m-85 -87.05 142.13 28.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -135.93 131.61 49.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.5 tp -77.26 123.36 26.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.722 HD12 HG12 ' A' ' 41' ' ' VAL . 15.1 mt -80.34 -61.15 2.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.36 167.98 8.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.502 ' HG2' ' CD2' ' A' ' 40' ' ' PHE . 1.2 mt-10 -123.56 113.46 18.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 179.24 155.04 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.15 53.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.9 mmt 60.93 156.2 0.11 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -37.04 2.24 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.525 1.803 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.19 -52.01 22.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -144.29 76.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.12 146.33 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.254 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 30.7 tt0 -127.48 143.16 51.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.502 ' CD2' ' HG2' ' A' ' 31' ' ' GLU . 30.5 m-85 -118.99 123.98 45.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.722 HG12 HD12 ' A' ' 29' ' ' LEU . 20.5 t -88.84 119.16 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.575 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 4.4 tpt -117.05 148.61 41.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.455 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 9.0 tt0 -121.87 154.48 37.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.835 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 8.0 p -138.87 132.41 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.723 ' HG3' HG23 ' A' ' 50' ' ' VAL . 4.3 ttmt -120.64 120.27 35.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.6 HG21 HD21 ' A' ' 12' ' ' LEU . 2.6 t -129.14 110.04 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.74 -108.33 1.51 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.16 24.69 12.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 0.777 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -127.53 156.84 41.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.723 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -142.71 154.82 17.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.835 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -151.95 175.31 12.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 42' ' ' MET . 1.8 p -143.52 157.6 44.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.423 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -144.94 151.06 23.27 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.115 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 47.4 p -137.09 149.69 47.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 110.401 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 39' ' ' GLU . . . -168.87 -165.62 26.57 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.649 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.96 -18.28 18.96 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.447 1.762 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -153.27 157.43 40.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 4.9 ttmt -49.71 -48.97 49.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 58' ' ' LYS . 3.5 mmtp -39.36 -64.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.649 HD12 ' HG2' ' A' ' 56' ' ' PRO . 76.6 mt -60.61 -41.52 88.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.575 ' HB1' ' HB2' ' A' ' 42' ' ' MET . . . -48.22 -48.74 34.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.577 ' HG2' ' CE2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -57.53 -47.91 80.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' CB ' ' HG2' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -56.66 -41.68 77.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -67.24 -28.03 67.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -65.46 -51.49 59.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.602 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -61.26 -43.5 98.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.403 ' HG2' HD12 ' A' ' 71' ' ' LEU . 22.2 tt0 -51.09 -52.52 42.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.76 -40.93 89.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.475 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 41.2 tpp -62.27 -49.78 74.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.526 ' CD2' HD12 ' A' ' 15' ' ' ILE . 2.8 mt -62.42 -35.86 80.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.685 HD21 ' HB2' ' A' ' 80' ' ' SER . 0.3 OUTLIER -66.46 -38.4 87.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -39.05 62.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.5 mt -62.34 -30.24 71.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.52 33.88 4.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -106.26 -14.33 15.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 0.79 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.95 21.85 3.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.99 -53.81 6.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.44 -60.43 1.73 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.977 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -58.3 -54.31 48.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.345 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.685 ' HB2' HD21 ' A' ' 71' ' ' LEU . 40.0 t -40.97 -60.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.044 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.92 -66.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -38.8 -62.12 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -40.48 -56.33 2.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.8 t -57.0 -49.92 74.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 178.21 118.06 0.55 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.442 1.089 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 169.59 22.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.485 1.782 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.56 153.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.978 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.9 t 64.03 130.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.039 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.8 m 58.24 93.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 109.968 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 p -127.97 165.63 19.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.64 129.33 1.1 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 m 64.52 155.5 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 0.789 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.14 105.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.46 176.69 16.95 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.658 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.3 Cg_endo -74.98 -32.26 5.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.556 HD11 ' HD2' ' A' ' 62' ' ' LYS . 41.3 mt -67.61 -73.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -38.27 -44.03 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.0 ttt85 -61.33 -49.16 78.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.581 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.1 OUTLIER -65.23 -47.71 75.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.44 -42.8 78.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -61.79 -26.88 68.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.536 HD12 ' CD2' ' A' ' 70' ' ' LEU . 61.9 mt -81.69 -34.56 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.483 ' NE2' HG13 ' A' ' 46' ' ' VAL . 15.7 mm100 -70.42 -27.05 63.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.492 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 3.1 pt20 -91.18 -46.26 8.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.492 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -59.11 -34.24 71.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.478 ' HD2' HG22 ' A' ' 15' ' ' ILE . 2.4 mtt85 -79.22 -16.39 56.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.355 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.1 mttm 63.69 31.12 14.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 11.3 mm-40 -93.19 -69.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 1.0 OUTLIER 164.24 132.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 22' ' ' LYS . 33.5 mt-10 -39.55 159.53 0.11 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.49 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.1 Cg_endo -75.04 147.7 34.12 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.538 1.809 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.27 105.22 15.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.62 ' OH ' ' HB2' ' A' ' 66' ' ' ALA . 60.5 m-85 -88.14 137.45 32.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -136.3 132.34 49.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.525 HD11 ' HD2' ' A' ' 58' ' ' LYS . 18.4 tp -79.1 123.19 27.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.457 HD12 HG12 ' A' ' 41' ' ' VAL . 13.1 mt -80.82 -61.6 1.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.232 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 t -168.74 175.91 5.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.01 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -143.43 125.19 15.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -171.45 161.73 6.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 143.05 166.87 11.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.3 mmt -48.23 159.0 0.53 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 111.052 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -28.51 9.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.42 1.748 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -44.01 71.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.4 mtm-85 -138.83 77.05 1.6 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.425 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 1.6 mtt180 -55.39 161.27 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -134.67 139.42 45.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 31' ' ' GLU . 43.7 m-85 -128.82 139.32 52.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.457 HG12 HD12 ' A' ' 29' ' ' LEU . 10.3 t -100.17 136.07 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.41 149.55 52.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.421 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 8.8 tt0 -124.6 152.36 43.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 1.017 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 12.7 p -138.15 132.1 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.804 ' HG3' HG23 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -121.93 118.39 28.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.49 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.3 t -127.37 110.12 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.43 -104.94 0.62 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -117.06 24.71 11.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 0.787 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -126.36 154.7 43.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.804 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -139.41 152.75 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 1.017 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -148.8 169.02 21.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.9 p -136.53 156.18 48.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.413 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -143.19 154.29 25.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 111.044 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 73.5 p -147.01 145.92 29.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 0.807 . . . . 0.0 110.418 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -162.56 -166.69 21.78 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.526 1.142 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.425 ' HA ' ' O ' ' A' ' 38' ' ' ARG . 18.3 Cg_endo -75.04 -24.12 13.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 16.3 p30 -140.15 168.07 20.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.525 ' HD2' HD11 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -57.11 -50.2 73.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.435 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -40.88 -76.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.473 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 51.4 mt -45.11 -50.13 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -45.1 -33.67 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.562 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -75.14 -44.33 47.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.418 ' CA ' ' HG2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -61.16 -41.05 96.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -63.68 -31.27 72.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -61.86 -56.68 16.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.658 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -56.61 -40.06 74.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.597 ' HG2' HD12 ' A' ' 71' ' ' LEU . 15.6 tt0 -54.21 -55.3 29.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.32 -46.55 72.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.581 ' HG2' HD11 ' A' ' 12' ' ' LEU . 37.8 tpp -55.52 -46.53 77.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 66' ' ' ALA . 1.1 mt -71.42 -28.74 64.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.597 HD12 ' HG2' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -73.76 -40.58 63.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.44 -38.76 65.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.248 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.583 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 2.8 mp -60.77 -45.47 94.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 117.5 30.8 1.78 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.583 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 77.8 m-85 -106.56 -24.45 12.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.742 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.78 18.87 7.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 78' ' ' SER . . . -79.13 -59.82 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 77' ' ' ALA . 31.0 m -39.12 -60.33 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 81.0 p -54.21 -48.97 70.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.38 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.572 ' HB2' HD21 ' A' ' 71' ' ' LEU . 8.7 t -44.44 -64.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.2 mp -51.02 -57.02 9.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.26 -53.06 3.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -57.95 -51.6 68.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.2 t -53.36 -38.76 63.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.145 . . . . 0.0 109.969 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -171.68 157.43 27.71 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -57.53 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.02 -65.03 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.952 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.8 m 70.72 125.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.996 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t -115.69 90.29 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 110.009 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.54 80.48 1.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.042 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.21 -162.98 0.06 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.66 99.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.965 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 t -172.52 82.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.986 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.54 -177.87 46.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.617 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.3 Cg_endo -74.98 -30.94 6.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.459 1.768 . . . . 0.0 111.022 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 12' ' ' LEU . 41.3 mt -66.9 -73.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -38.67 -46.86 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.968 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -58.06 -47.25 83.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.539 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.0 OUTLIER -65.59 -49.84 67.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.084 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.31 -45.07 80.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -59.92 -29.53 68.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.546 HD12 ' CD2' ' A' ' 70' ' ' LEU . 39.8 mt -77.77 -36.1 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 18.1 mm100 -68.39 -34.59 76.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 12.9 pt20 -84.45 -45.48 12.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.479 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -60.07 -31.89 70.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.509 ' HD2' HG22 ' A' ' 15' ' ' ILE . 3.9 mtt-85 -78.9 -18.78 53.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.9 mttm 66.22 34.9 6.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 5.9 mm-40 -101.79 -72.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER 169.54 133.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.409 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 0.7 OUTLIER -42.0 160.79 0.17 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.487 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.5 Cg_endo -74.95 151.97 40.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.83 104.92 12.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.36 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.556 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 76.5 m-85 -87.97 137.85 31.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -133.58 126.75 52.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.61 HD23 ' HG3' ' A' ' 58' ' ' LYS . 2.4 tm? -77.23 113.76 15.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.737 HD12 HG12 ' A' ' 41' ' ' VAL . 18.5 mt -70.9 -61.04 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.3 -165.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.55 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -163.25 115.05 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -153.16 -176.78 5.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 112.46 172.53 18.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.458 ' CE ' ' HB2' ' A' ' 36' ' ' ARG . 8.7 ptm -52.41 161.76 1.01 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.68 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.539 1.81 . . . . 0.0 110.981 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.458 ' HB2' ' CE ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -41.44 -55.89 2.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -140.94 74.53 1.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.429 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 11.3 mmt85 -40.99 161.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -126.49 114.88 18.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.55 ' CD2' ' HB3' ' A' ' 31' ' ' GLU . 12.6 m-85 -105.34 127.11 52.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.737 HG12 HD12 ' A' ' 29' ' ' LEU . 29.8 t -93.23 121.54 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.425 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -119.22 146.33 45.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 111.014 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 25.7 tt0 -121.64 153.93 37.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.964 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 13.0 p -139.56 132.78 36.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.758 ' HG3' HG23 ' A' ' 50' ' ' VAL . 7.8 tttt -120.35 121.34 38.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.503 HG21 HD21 ' A' ' 12' ' ' LEU . 2.5 t -130.23 109.81 18.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.04 -107.69 1.17 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.426 1.079 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -113.98 26.69 10.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.282 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -129.72 157.44 42.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.758 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -141.56 154.68 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.964 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -150.28 172.51 15.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.4 p -140.66 158.26 44.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.423 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -146.63 145.86 15.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.2 p -132.21 153.22 50.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.777 . . . . 0.0 110.402 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -171.31 -168.08 32.46 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.448 1.092 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 38' ' ' ARG . 18.1 Cg_endo -75.04 -25.76 11.49 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 16.9 p30 -139.84 168.47 19.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.61 ' HG3' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -57.06 -51.19 70.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 62' ' ' LYS . 9.6 mtmt -40.13 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.473 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 45.2 mt -44.14 -55.11 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -43.25 -33.41 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.571 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -71.04 -47.09 60.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -58.21 -44.97 88.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -61.33 -29.38 69.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.357 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -64.07 -54.71 29.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.617 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -57.07 -41.43 78.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -51.21 -60.01 3.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.42 -50.26 52.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.539 ' HG2' HD11 ' A' ' 12' ' ' LEU . 34.9 tpp -50.95 -49.15 60.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.546 ' CD2' HD12 ' A' ' 15' ' ' ILE . 5.0 mt -63.49 -38.74 92.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -40.81 97.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.243 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -39.53 64.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.561 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -59.21 -45.85 89.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.3 34.45 1.02 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 75.2 m-85 -106.69 -28.54 10.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -120.93 23.1 10.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.09 -59.17 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.15 -57.19 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.9 m -57.44 -53.69 55.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.443 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.8 t -43.24 -64.74 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.002 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.48 -64.42 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 83' ' ' ASP . 10.9 tt0 -38.96 -61.27 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.342 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 82' ' ' GLN . 0.8 OUTLIER -40.53 -57.13 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.81 -49.98 73.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -148.09 109.16 0.45 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.145 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -54.14 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.778 . . . . 0.0 111.059 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.78 -60.59 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.67 145.38 25.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.033 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.68 89.57 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 109.986 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.42 145.71 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.66 118.39 0.75 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -127.89 127.01 42.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 49.51 89.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.85 176.18 47.03 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.557 1.161 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.505 ' O ' HD11 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -74.93 -31.18 6.55 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.446 1.761 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.657 HD11 ' HA ' ' A' ' 63' ' ' LYS . 10.7 mm -63.28 -68.36 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.12 -54.47 6.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.99 -45.05 4.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.77 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.2 OUTLIER -68.77 -47.97 64.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.77 -40.37 75.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -64.83 -26.31 68.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.539 HD12 ' CD2' ' A' ' 70' ' ' LEU . 56.8 mt -82.32 -33.19 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.471 ' NE2' HG13 ' A' ' 46' ' ' VAL . 16.0 mm100 -70.86 -27.8 64.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.474 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 13.8 pt20 -89.35 -44.74 9.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.474 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -62.27 -29.47 70.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.478 ' HD2' HG22 ' A' ' 15' ' ' ILE . 4.3 mtt-85 -81.59 -19.07 42.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.4 mttt 66.15 27.72 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 6.6 mm-40 -93.1 -74.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 170.21 135.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.445 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -41.63 159.79 0.17 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.484 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -74.98 147.14 33.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.522 1.801 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.12 104.33 13.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.597 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 85.6 m-85 -87.8 135.34 33.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mp -130.23 133.87 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.574 ' C ' HD13 ' A' ' 28' ' ' LEU . 2.8 tm? -82.04 111.73 18.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.753 HD12 HG12 ' A' ' 41' ' ' VAL . 17.2 mt -68.03 -62.36 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.98 -176.58 2.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 2.1 pm0 -143.53 123.6 13.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 178.71 158.57 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 147.71 -157.21 27.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.14 . . . . 0.0 110.999 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.84 157.16 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -38.76 1.46 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.508 1.794 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.83 -54.07 2.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -42.72 89.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 58.04 157.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.71 138.88 21.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CD2' ' HD2' ' A' ' 58' ' ' LYS . 54.0 m-85 -124.97 151.72 45.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.753 HG12 HD12 ' A' ' 29' ' ' LEU . 25.3 t -111.42 126.2 68.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.464 ' SD ' HD23 ' A' ' 28' ' ' LEU . 2.3 tpt -122.89 145.97 47.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.439 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 9.8 tt0 -124.01 153.68 40.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.992 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 10.4 p -138.47 133.21 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.811 ' HG3' HG23 ' A' ' 50' ' ' VAL . 2.1 ttmt -122.39 119.85 32.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.3 t -130.74 109.98 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.76 -108.96 1.76 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.497 1.123 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -112.83 24.47 12.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.95 155.32 43.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.811 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -141.78 154.0 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.992 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -149.73 172.87 14.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.8 p -143.47 160.03 41.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 0.0 110.387 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.436 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -148.96 152.74 24.72 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.3 p -138.62 150.17 45.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 0.777 . . . . 0.0 110.34 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.09 -173.19 37.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.635 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.96 -22.47 14.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -141.96 154.23 44.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.696 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -44.08 -52.73 6.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.91 -76.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.635 HD12 ' HG2' ' A' ' 56' ' ' PRO . 44.9 mt -43.54 -43.77 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -50.21 -55.92 13.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.597 ' HG2' ' CE1' ' A' ' 26' ' ' TYR . 3.1 ttmm -56.57 -47.39 79.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.657 ' HA ' HD11 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -52.88 -43.12 65.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -69.71 -27.72 65.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -66.46 -54.1 27.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.362 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.426 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -61.49 -41.29 97.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.428 ' O ' HD12 ' A' ' 71' ' ' LEU . 25.0 tt0 -52.42 -50.99 61.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.78 98.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.77 ' HG2' HD11 ' A' ' 12' ' ' LEU . 27.5 tpp -58.59 -41.46 85.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.539 ' CD2' HD12 ' A' ' 15' ' ' ILE . 1.9 mt -72.35 -27.77 62.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' ' 80' ' ' SER . 0.3 OUTLIER -72.89 -40.39 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -41.63 64.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.573 ' HB3' ' CD2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -57.64 -47.48 82.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.358 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.54 34.71 0.91 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.128 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.573 ' CD2' ' HB3' ' A' ' 73' ' ' LEU . 77.4 m-85 -106.46 -26.42 11.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.753 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.39 20.27 8.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.64 -51.69 7.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 p -46.13 -61.91 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.038 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 55.2 m -57.4 -49.95 74.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.382 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.454 ' HB2' HD21 ' A' ' 71' ' ' LEU . 9.1 t -40.78 -61.76 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.67 -62.79 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -38.94 -63.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -41.52 -55.44 2.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.08 -49.95 74.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.001 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.29 142.19 48.29 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -59.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.529 1.805 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.48 167.46 11.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.77 -58.47 2.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.025 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 t -109.52 113.61 26.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.1 p -174.53 89.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.043 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.47 132.33 6.3 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -55.62 149.21 14.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 43.07 88.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.35 158.62 22.82 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.537 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.3 Cg_endo -74.98 -33.47 4.59 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.475 ' CD1' ' HD2' ' A' ' 62' ' ' LYS . 33.6 mt -68.54 -73.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.33 -45.93 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.4 ' NH2' ' O ' ' A' ' 75' ' ' TYR . 13.2 ttt180 -57.88 -44.0 86.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.669 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.1 OUTLIER -70.03 -48.76 56.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.01 -46.73 75.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -58.74 -29.2 66.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.518 HD12 ' CD2' ' A' ' 70' ' ' LEU . 53.7 mt -77.3 -37.09 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.457 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 19.3 mm100 -67.5 -35.87 79.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 1.6 pt20 -82.22 -45.28 15.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.479 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -60.9 -31.81 71.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.429 ' HD2' HG22 ' A' ' 15' ' ' ILE . 3.4 mtt-85 -78.48 -15.24 58.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 mttt 63.56 29.62 15.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 6.1 mm-40 -95.99 -71.4 0.67 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 4.4 tttp 166.19 132.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.421 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 2.8 mt-10 -39.84 160.53 0.11 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.472 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -75.0 150.91 38.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.769 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.68 105.39 14.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 63.0 m-85 -88.42 136.13 33.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -135.43 129.29 49.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.739 HD23 ' HG3' ' A' ' 58' ' ' LYS . 2.3 tm? -77.08 111.76 13.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.668 HD12 ' CG1' ' A' ' 41' ' ' VAL . 8.6 mt -65.42 -64.84 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.3 -168.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.993 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.501 ' O ' ' CD ' ' A' ' 32' ' ' ARG . 11.3 mt-10 -145.77 140.45 27.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.338 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER 178.8 179.86 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 114.76 -173.19 14.65 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.0 mmm -45.74 156.65 0.42 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 110.969 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -25.47 11.82 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -98.36 -50.76 4.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -65.52 -56.11 14.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 64.54 132.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 32' ' ' ARG . 15.9 tt0 -126.46 121.39 32.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.35 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 57' ' ' ASN . 24.7 m-85 -110.91 126.44 54.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.668 ' CG1' HD12 ' A' ' 29' ' ' LEU . 22.0 t -91.62 123.35 43.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.422 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -119.66 146.83 45.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.476 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 26.3 tt0 -121.72 151.35 40.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.698 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 12.8 p -139.05 130.73 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.836 ' HG3' HG23 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -117.55 118.49 32.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.499 HG21 HD21 ' A' ' 12' ' ' LEU . 2.6 t -125.09 110.01 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.46 -107.32 1.08 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -114.1 25.86 10.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -129.35 157.95 40.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.336 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.836 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -143.1 151.22 17.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.698 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -148.15 170.05 18.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.1 p -133.85 157.11 46.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.341 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.9 140.94 9.52 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.477 1.11 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.5 p -131.0 161.3 32.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.73 -158.53 21.43 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.594 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -75.03 -36.98 2.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.772 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.469 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -135.45 176.2 8.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.739 ' HG3' HD23 ' A' ' 28' ' ' LEU . 2.1 ttmm -60.19 -51.93 67.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -36.97 -78.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.594 HD12 ' HG2' ' A' ' 56' ' ' PRO . 64.9 mt -46.5 -54.27 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.72 -32.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.564 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -74.43 -46.98 36.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -56.84 -42.87 80.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -63.86 -31.84 73.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -59.02 -48.91 79.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.584 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -65.42 -42.32 92.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.544 ' HG2' HD12 ' A' ' 71' ' ' LEU . 25.9 tt0 -55.15 -51.29 66.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.26 -40.21 81.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.669 ' HG2' HD11 ' A' ' 12' ' ' LEU . 36.9 tpp -62.24 -52.91 61.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.518 ' CD2' HD12 ' A' ' 15' ' ' ILE . 1.8 mt -58.68 -38.01 77.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.577 HD21 ' HB2' ' A' ' 80' ' ' SER . 0.3 OUTLIER -68.78 -39.96 79.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.54 ' OE1' ' HB2' ' A' ' 51' ' ' ALA . 1.4 pt20 -71.59 -28.13 63.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.33 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.4 mt -76.59 -27.29 55.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.03 35.41 5.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.4 ' O ' ' NH2' ' A' ' 11' ' ' ARG . 5.7 m-85 -105.95 -13.07 15.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.34 25.44 2.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.12 -51.47 8.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.4 t -44.53 -55.85 4.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.8 m -60.64 -55.64 30.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.438 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.577 ' HB2' HD21 ' A' ' 71' ' ' LEU . 22.8 t -40.43 -60.42 1.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.53 -65.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -39.03 -64.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -40.5 -54.43 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.45 -49.26 67.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.99 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -113.26 97.32 0.86 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 143.19 28.7 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.496 1.787 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.65 -58.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.037 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.6 t -59.51 165.96 2.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.046 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t -120.29 97.59 5.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 0.736 . . . . 0.0 109.971 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -148.85 140.93 23.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.75 -103.2 0.28 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.98 -68.49 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 110.012 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.64 117.4 28.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.39 178.68 44.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.446 1.091 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.492 ' O ' HD11 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -74.94 -29.91 7.82 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.716 HD13 ' HE3' ' A' ' 62' ' ' LYS . 43.1 mt -68.83 -74.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 t -40.95 -52.57 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -50.19 -40.28 46.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -71.15 -48.3 52.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.24 -44.72 84.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -59.66 -30.06 68.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.539 HD12 ' CD2' ' A' ' 70' ' ' LEU . 56.7 mt -76.99 -37.03 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.456 ' NE2' HG13 ' A' ' 46' ' ' VAL . 18.1 mm100 -66.35 -36.11 82.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.473 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 2.4 pt20 -82.86 -45.4 14.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.473 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -60.15 -31.54 70.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.446 ' HD2' HG22 ' A' ' 15' ' ' ILE . 12.1 mtt180 -79.52 -18.53 51.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mttm 65.81 33.52 8.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 28.6 mm-40 -100.03 -72.41 0.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 169.84 133.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -42.56 159.64 0.2 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.464 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.1 Cg_endo -75.03 148.45 35.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.452 1.764 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.07 102.11 11.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.611 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 58.7 m-85 -88.85 134.64 33.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 28' ' ' LEU . 2.3 mp -132.35 167.34 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.566 ' C ' HD13 ' A' ' 28' ' ' LEU . 2.3 tm? -110.95 112.04 23.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.2 mt -69.98 -61.99 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -168.1 -172.39 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.001 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.534 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 13.2 pt-20 -152.9 120.71 6.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.29 -172.71 3.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.32 -129.08 8.15 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -104.96 152.86 39.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 111.011 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -0.99 10.64 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.25 -49.61 3.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -93.18 -31.01 14.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 34' ' ' MET . 7.9 mmt180 44.88 96.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -82.67 130.45 35.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.534 ' CD1' ' HB3' ' A' ' 31' ' ' GLU . 18.7 m-85 -122.04 130.09 52.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.421 ' O ' HD22 ' A' ' 28' ' ' LEU . 6.4 t -93.79 128.91 44.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.425 ' SD ' HD23 ' A' ' 28' ' ' LEU . 2.4 tpt -125.64 139.91 53.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -113.7 155.52 25.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.694 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 7.0 p -141.94 129.43 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.782 ' HG3' HG23 ' A' ' 50' ' ' VAL . 4.2 ttmt -116.89 117.44 29.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.472 ' HB ' ' HE3' ' A' ' 69' ' ' MET . 2.5 t -123.82 110.28 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.01 -107.88 1.23 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -113.41 26.62 10.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -130.06 157.46 42.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.782 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -142.57 151.17 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.694 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -148.62 168.77 21.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.2 p -138.86 158.37 44.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.423 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -152.03 150.87 22.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.7 p -130.03 164.64 23.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 110.429 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -179.06 -179.78 48.77 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HG2' ' CD1' ' A' ' 60' ' ' ILE . 18.2 Cg_endo -74.98 -10.49 21.28 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -154.17 151.73 29.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.464 ' HD2' ' CD1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -45.33 -45.5 12.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.84 -70.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.412 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 59.1 mt -51.76 -45.96 38.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -47.26 -59.9 2.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.716 ' HE3' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -50.17 -53.11 30.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.523 ' HG3' HD11 ' A' ' 9' ' ' ILE . 1.6 mtmt -50.07 -45.58 52.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -61.85 -32.87 73.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -64.81 -49.06 72.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.511 ' HB2' ' OH ' ' A' ' 26' ' ' TYR . . . -63.74 -41.86 97.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.544 ' HG2' HD12 ' A' ' 71' ' ' LEU . 17.6 tt0 -57.64 -48.74 78.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.72 -42.89 89.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.472 ' HE3' ' HB ' ' A' ' 46' ' ' VAL . 39.8 tpp -59.66 -56.14 25.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.539 ' CD2' HD12 ' A' ' 15' ' ' ILE . 4.0 mt -53.45 -42.49 67.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.544 HD12 ' HG2' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -66.28 -39.32 89.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.581 ' OE1' ' HB2' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -72.33 -25.44 61.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.6 mt -77.17 -29.93 54.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.64 35.55 4.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -105.97 -13.27 15.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.77 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.19 25.49 2.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.5 -61.66 1.87 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.4 -58.8 1.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.6 m -58.71 -54.87 42.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.457 ' HB2' HD21 ' A' ' 71' ' ' LEU . 24.5 t -40.36 -59.34 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 109.958 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.66 -65.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -39.01 -61.54 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -40.58 -55.74 2.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.8 t -53.31 -49.94 65.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.029 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 178.79 -175.58 47.44 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 151.21 39.05 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.428 1.751 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.72 164.12 34.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.8 t -111.48 155.48 23.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.97 -58.58 3.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 0.789 . . . . 0.0 110.031 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.7 m -120.2 87.89 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.964 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.0 156.86 9.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 m -100.16 145.88 27.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.025 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m 61.73 91.8 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.961 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.29 176.15 18.27 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.478 ' O ' HD11 ' A' ' 70' ' ' LEU . 18.4 Cg_endo -74.96 -32.12 5.7 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.526 1.803 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.681 HD11 ' HA ' ' A' ' 63' ' ' LYS . 14.9 mm -63.34 -67.94 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.49 -55.98 4.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.004 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.36 -47.65 6.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.739 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.1 OUTLIER -66.68 -49.53 65.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.44 -43.97 72.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -62.54 -27.83 69.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.549 HD12 ' CD2' ' A' ' 70' ' ' LEU . 38.3 mt -80.45 -32.48 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.598 ' NE2' HG13 ' A' ' 46' ' ' VAL . 14.2 mm100 -71.57 -31.04 66.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.463 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 12.6 pt20 -85.83 -44.1 12.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.463 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -63.4 -32.12 73.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.538 ' HD2' HG22 ' A' ' 15' ' ' ILE . 11.6 mtt180 -77.84 -19.04 55.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.5 mttt 66.94 25.28 9.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 47.9 mm-40 -91.31 -74.66 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 169.48 134.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.44 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 3.6 mt-10 -39.94 160.23 0.11 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.486 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -75.0 145.44 31.45 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.14 101.0 10.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.652 ' CD1' ' CG ' ' A' ' 62' ' ' LYS . 73.6 m-85 -88.87 129.34 35.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 28' ' ' LEU . 2.4 mp -127.04 167.7 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.482 HD13 ' N ' ' A' ' 30' ' ' SER . 2.5 tm? -109.27 110.67 21.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.536 ' HB2' HG12 ' A' ' 41' ' ' VAL . 6.5 mt -70.76 -52.08 23.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.482 ' N ' HD13 ' A' ' 28' ' ' LEU . 0.4 OUTLIER 176.61 -170.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.443 ' OE1' HD11 ' A' ' 28' ' ' LEU . 3.9 pm0 -160.53 126.36 4.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 177.04 -54.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 48.88 -101.56 0.04 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.91 163.38 33.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -25.87 11.58 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -102.46 -15.16 16.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.41 82.09 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -60.12 136.65 58.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 4.7 tm-20 -135.42 146.29 48.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -111.01 126.21 54.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.536 HG12 ' HB2' ' A' ' 29' ' ' LEU . 3.2 t -88.68 124.94 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.658 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 4.4 tpt -124.78 151.61 44.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.474 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 10.1 tt0 -127.07 158.2 37.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.933 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 14.2 p -142.74 130.33 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.639 ' HG3' HG23 ' A' ' 50' ' ' VAL . 1.8 ttmt -119.23 118.54 31.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.598 HG13 ' NE2' ' A' ' 16' ' ' GLN . 2.1 t -129.88 109.92 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.87 -111.89 3.39 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -109.61 24.86 12.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 0.792 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -127.96 155.02 44.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.639 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -142.25 154.14 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.933 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -150.87 174.02 13.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 p -144.45 157.69 44.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.453 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.416 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -141.81 149.9 21.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.539 1.149 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.8 p -136.93 135.08 37.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 0.732 . . . . 0.0 110.38 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 39' ' ' GLU . . . -158.95 -175.64 30.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -21.95 15.4 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 5.9 p-10 -141.09 142.93 34.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.595 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 12.0 ttmt -39.66 -43.86 1.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.25 -65.07 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 77.2 mt -58.46 -35.75 55.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.658 ' HB1' ' HB2' ' A' ' 42' ' ' MET . . . -52.94 -55.48 23.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.652 ' CG ' ' CD1' ' A' ' 26' ' ' TYR . 5.0 ttmm -57.94 -48.84 78.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.681 ' HA ' HD11 ' A' ' 9' ' ' ILE . 1.1 mtmt -52.58 -50.68 62.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -61.04 -27.69 68.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -69.81 -55.55 9.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.459 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -58.3 -41.35 84.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.528 ' HA ' HD12 ' A' ' 70' ' ' LEU . 20.2 tt0 -55.85 -50.55 70.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.9 80.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.739 ' HG2' HD11 ' A' ' 12' ' ' LEU . 25.3 tpp -65.6 -39.55 91.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.549 ' CD2' HD12 ' A' ' 15' ' ' ILE . 1.7 mt -73.09 -25.1 60.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.641 HD21 ' HB3' ' A' ' 80' ' ' SER . 0.3 OUTLIER -73.56 -39.99 64.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -36.59 75.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.553 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 2.4 mp -62.63 -48.65 78.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.97 33.75 1.04 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 76.8 m-85 -106.27 -25.28 12.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 110.95 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.05 21.72 8.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.35 -56.23 4.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.59 -52.66 17.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 m -62.46 -59.19 5.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.641 ' HB3' HD21 ' A' ' 71' ' ' LEU . 80.2 p -40.76 -57.81 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.989 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.65 -62.44 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -40.27 -59.37 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -42.55 -58.76 2.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.2 t -55.79 -49.41 73.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.019 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -171.45 162.92 35.58 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 161.15 39.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 m -175.03 169.59 3.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.018 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.5 t -171.3 139.81 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.035 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.477 1.11 . . . . 0.0 111.042 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.3 m 61.17 87.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -169.07 -58.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.018 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.13 65.78 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.6 p 47.69 89.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 109.954 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 p 177.7 152.27 0.25 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.97 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.52 171.52 18.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.595 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.4 Cg_endo -74.99 -31.97 5.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.448 1.762 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.421 HD13 ' HE3' ' A' ' 62' ' ' LYS . 40.6 mt -68.95 -74.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 t -38.98 -50.95 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.982 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.9 ttt85 -53.47 -48.55 68.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.61 HD21 HG21 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -62.4 -44.14 97.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.53 98.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -59.63 -31.29 69.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.529 ' CD1' ' CD2' ' A' ' 70' ' ' LEU . 24.9 mt -76.46 -39.47 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.377 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.962 ' NE2' HG13 ' A' ' 46' ' ' VAL . 3.8 mm-40 -64.76 -36.77 85.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -81.17 -39.95 24.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.16 -26.79 64.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.437 ' HD2' HG22 ' A' ' 15' ' ' ILE . 68.5 mtt180 -79.92 -18.8 49.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 110.307 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mttt 68.07 23.44 8.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 6.7 mm-40 -90.23 -78.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 0.0 OUTLIER 174.84 131.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 22' ' ' LYS . 1.8 mt-10 -38.93 158.36 0.11 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.49 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -74.98 147.09 33.53 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.545 1.813 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -109.45 105.41 14.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.579 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 56.2 m-85 -88.0 135.56 33.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -134.51 134.19 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.612 HD13 ' HE2' ' A' ' 58' ' ' LYS . 12.1 tp -83.74 113.52 20.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.656 HD12 ' CG1' ' A' ' 41' ' ' VAL . 16.2 mt -68.96 -62.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.9 t -169.4 -178.51 3.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 2.2 pm0 -146.37 124.78 12.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.12 170.23 16.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.256 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 130.08 171.84 13.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.77 162.54 1.33 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.549 0.794 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -34.93 3.45 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.539 1.81 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -49.84 68.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -136.81 75.75 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -60.97 175.37 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -135.63 142.39 45.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -129.16 124.5 34.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.656 ' CG1' HD12 ' A' ' 29' ' ' LEU . 40.6 t -88.99 130.87 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.425 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -127.1 149.53 49.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 111.024 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 27.1 tt0 -126.57 152.29 46.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.222 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.818 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 13.1 p -139.53 130.05 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.706 ' HG3' HG23 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -115.87 118.11 32.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.962 HG13 ' NE2' ' A' ' 16' ' ' GLN . 20.4 t -126.5 109.99 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.34 -109.54 1.99 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -112.31 24.94 12.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -128.74 157.14 42.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.706 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -141.89 151.57 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.818 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -146.17 169.39 18.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 42' ' ' MET . 1.7 p -137.19 154.71 50.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.431 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -140.83 151.45 22.44 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 34.6 p -137.3 154.52 50.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 0.0 110.442 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.67 -172.32 42.89 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.11 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -30.57 7.0 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.484 1.781 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.09 161.38 34.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.348 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.612 ' HE2' HD13 ' A' ' 28' ' ' LEU . 8.4 ttmt -51.74 -48.38 63.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.5 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.3 mt -47.56 -50.18 8.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.91 -41.07 23.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.579 ' HD3' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.32 -50.26 41.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.37 -43.23 61.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -65.79 -33.74 76.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -60.26 -49.23 78.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.595 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -62.72 -41.47 99.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.445 ' HG2' HD12 ' A' ' 71' ' ' LEU . 22.0 tt0 -53.44 -56.87 13.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.343 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.69 -47.85 63.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.466 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 30.8 tpp -54.16 -52.43 61.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.529 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 2.4 mt -62.02 -35.51 78.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.613 HD21 ' HB2' ' A' ' 80' ' ' SER . 0.3 OUTLIER -65.67 -38.38 89.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -38.61 62.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.14 -35.25 78.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.28 33.98 3.27 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -106.12 -14.69 15.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -136.23 22.2 3.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.58 -53.42 6.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.0 p -42.89 -61.35 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 m -57.58 -53.57 56.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.613 ' HB2' HD21 ' A' ' 71' ' ' LEU . 38.2 t -41.44 -58.4 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.4 mt -40.68 -67.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.29 -63.01 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.5 -56.65 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.8 t -53.13 -49.95 65.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 171.67 129.73 1.16 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.143 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 142.28 27.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.6 t -106.93 134.42 50.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 89' ' ' GLY . 88.9 p -176.97 119.89 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' SER . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 t -59.45 142.28 52.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.81 82.45 2.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.027 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.41 -159.49 25.28 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m 63.35 163.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.75 . . . . 0.0 109.997 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.1 p -109.72 128.18 55.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.966 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.24 -179.5 45.83 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -35.21 3.25 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 110.956 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.751 HD13 ' HB2' ' A' ' 66' ' ' ALA . 39.3 mm -62.55 -68.99 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.3 -51.15 11.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -49.02 -48.7 43.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.728 HD21 HG21 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -63.2 -42.52 99.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.71 97.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -62.1 -30.59 71.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.581 HG22 ' HD2' ' A' ' 19' ' ' ARG . 33.0 mt -76.05 -38.69 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.926 ' NE2' HG13 ' A' ' 46' ' ' VAL . 4.3 mm-40 -66.55 -35.57 80.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -82.78 -38.87 22.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.52 -26.81 63.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.581 ' HD2' HG22 ' A' ' 15' ' ' ILE . 49.4 mtt180 -80.54 -18.15 49.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 10.7 mttt 69.55 18.8 7.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 22.3 mm-40 -85.07 -80.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 1.3 tptt 176.88 132.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -39.13 157.5 0.12 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.502 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -75.01 146.75 32.98 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -108.34 105.65 15.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.569 ' OH ' HG23 ' A' ' 9' ' ' ILE . 84.9 m-85 -88.34 130.73 35.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 mp -128.34 129.52 69.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.462 ' C ' HD13 ' A' ' 28' ' ' LEU . 2.9 tm? -78.11 115.07 17.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.7 HD12 HG12 ' A' ' 41' ' ' VAL . 13.4 mt -72.27 -63.42 1.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 96.1 p -169.41 -175.39 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.602 ' OE1' ' CE2' ' A' ' 40' ' ' PHE . 43.8 mt-10 -148.2 107.76 3.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -154.09 163.92 39.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.18 -168.12 24.95 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 12.9 mtt -48.84 156.47 0.89 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.55 0.794 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.31 2.64 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -53.81 38.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -132.2 83.11 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -57.83 153.46 13.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 32' ' ' ARG . 0.6 OUTLIER -105.6 122.23 45.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.602 ' CE2' ' OE1' ' A' ' 31' ' ' GLU . 6.9 m-85 -101.83 133.07 47.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.7 HG12 HD12 ' A' ' 29' ' ' LEU . 21.8 t -98.53 119.03 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.427 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -116.81 144.35 44.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.454 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 22.5 tt0 -120.2 149.92 41.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.913 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 7.8 p -136.31 128.77 45.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.694 ' HG3' HG23 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -115.73 117.03 29.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.926 HG13 ' NE2' ' A' ' 16' ' ' GLN . 12.3 t -125.85 109.95 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.76 -110.89 2.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.9 25.84 11.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -130.22 157.54 42.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.694 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -141.23 153.68 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.913 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -147.9 169.43 19.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.3 p -135.29 158.1 45.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.426 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -145.93 142.16 10.35 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 40' ' ' PHE . 72.1 p -132.03 152.59 51.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 0.783 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -173.24 -170.08 36.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.593 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -75.01 -18.48 18.68 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.473 1.775 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 14.7 p30 -149.55 158.81 44.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -46.66 -56.47 6.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' LYS . 11.8 mtmt -37.69 -76.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.593 HD12 ' HG2' ' A' ' 56' ' ' PRO . 96.7 mt -44.2 -49.76 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -48.41 -43.21 33.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.634 ' C ' HD11 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -65.38 -46.83 78.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.35 -42.34 73.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -71.37 -24.24 62.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -68.05 -50.49 54.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.751 ' HB2' HD13 ' A' ' 9' ' ' ILE . . . -61.31 -39.09 89.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.78 ' HA ' HD12 ' A' ' 70' ' ' LEU . 19.8 tt0 -56.25 -65.08 0.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.86 -49.81 5.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.477 ' HG2' HD11 ' A' ' 12' ' ' LEU . 18.4 tpp -50.95 -51.25 54.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.78 HD12 ' HA ' ' A' ' 67' ' ' GLU . 1.4 mt -59.56 -50.09 75.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -51.35 -42.79 61.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -38.16 78.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.55 ' HB3' ' CE1' ' A' ' 75' ' ' TYR . 90.2 mt -68.42 -22.78 64.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.58 41.4 6.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.102 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.55 ' CE1' ' HB3' ' A' ' 73' ' ' LEU . 5.5 m-85 -106.28 -12.83 15.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -149.62 24.34 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.53 -56.42 5.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.27 -59.83 2.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 m -54.83 -50.66 68.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 81' ' ' LEU . 32.6 t -42.31 -63.61 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.004 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 80' ' ' SER . 1.9 mt -40.3 -63.24 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 83' ' ' ASP . 2.4 mt-30 -40.55 -64.77 0.48 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.132 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 82' ' ' GLN . 3.7 t0 -40.5 -56.63 2.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.0 t -53.62 -49.95 66.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.053 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -167.03 162.3 36.11 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 140.59 25.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 84.8 p -165.54 166.62 18.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.1 t -85.28 -58.87 2.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 111.05 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 t -176.88 141.21 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 0.736 . . . . 0.0 109.991 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.93 145.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.57 81.94 1.08 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.0 p -158.28 166.1 33.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 0.745 . . . . 0.0 110.017 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.04 114.47 27.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.55 -174.61 14.04 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.461 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.4 Cg_endo -74.98 -29.08 8.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.784 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.533 HD13 ' HE3' ' A' ' 62' ' ' LYS . 33.2 mt -67.09 -73.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.85 -50.32 10.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.83 ' HD3' HD22 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -51.39 -60.71 2.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.741 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.0 OUTLIER -52.88 -45.54 67.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 17' ' ' GLN . . . -60.11 -44.76 94.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -59.86 -31.41 69.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.521 HD12 ' CD2' ' A' ' 70' ' ' LEU . 58.9 mt -72.82 -39.0 58.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.479 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 17.9 mm100 -60.65 -28.65 68.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 13' ' ' ALA . 1.0 OUTLIER -89.35 -46.05 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.73 -29.09 62.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -84.71 -19.86 32.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 mttt 67.75 31.59 5.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.512 ' O ' ' CD ' ' A' ' 22' ' ' LYS . 6.0 mm-40 -96.36 -75.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.512 ' CD ' ' O ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER 173.07 135.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.448 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 1.6 mt-10 -43.7 160.38 0.22 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.472 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -74.98 147.14 33.61 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.534 1.807 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.26 104.76 14.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.564 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 82.2 m-85 -87.95 134.11 33.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.5 mp -132.22 127.26 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.455 ' CD2' ' HG3' ' A' ' 58' ' ' LYS . 1.7 tm? -76.98 114.13 15.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.485 HD12 HG12 ' A' ' 41' ' ' VAL . 12.4 mt -69.57 -59.77 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.09 -170.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.565 ' HG3' ' CE2' ' A' ' 40' ' ' PHE . 1.0 OUTLIER -141.05 121.38 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 ptm85 -176.47 151.07 0.93 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.279 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.5 -118.43 0.77 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.3 mmm -100.95 161.91 22.26 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.485 0.756 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.13 2.75 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.455 1.766 . . . . 0.0 111.02 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.8 mtt-85 -66.86 -57.98 5.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.251 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -131.93 84.56 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -48.25 168.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.26 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 8.6 tt0 -126.98 136.17 51.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 31' ' ' GLU . 12.5 m-85 -109.6 124.93 51.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.485 HG12 HD12 ' A' ' 29' ' ' LEU . 11.1 t -89.38 128.48 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.411 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -126.34 144.08 50.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.436 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 8.2 tt0 -120.07 151.81 38.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.956 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 11.1 p -137.9 131.14 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.689 ' HG3' HG23 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -119.57 117.48 28.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.6 t -126.01 110.28 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.55 -107.91 1.32 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -113.96 25.25 11.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -128.6 157.02 42.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.689 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -141.08 154.29 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.956 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -148.81 168.2 23.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.3 p -136.15 157.13 47.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.432 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.438 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -146.85 151.42 23.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 39.6 p -136.46 152.23 50.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 0.746 . . . . 0.0 110.385 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 39' ' ' GLU . . . -172.49 -175.94 40.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -13.17 21.54 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.471 ' ND2' HD12 ' A' ' 60' ' ' ILE . 19.3 p30 -150.04 167.72 25.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.455 ' HG3' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -56.83 -48.8 77.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.435 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -43.15 -76.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.471 HD12 ' ND2' ' A' ' 57' ' ' ASN . 55.6 mt -46.6 -50.91 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.87 -38.5 10.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.564 ' HD3' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -73.91 -45.48 50.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -46.24 70.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -63.46 -36.08 82.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.438 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -62.84 -47.44 83.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.519 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -62.07 -38.43 88.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.493 ' HA ' HD12 ' A' ' 70' ' ' LEU . 26.5 tt0 -59.12 -66.44 0.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.62 -49.83 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.741 ' HG2' HD11 ' A' ' 12' ' ' LEU . 29.4 tpp -50.54 -44.92 56.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.83 HD22 ' HD3' ' A' ' 11' ' ' ARG . 3.5 mt -71.33 -46.64 60.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.501 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -54.37 -45.34 72.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -44.85 77.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.569 ' HB3' ' CD1' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -52.9 -42.95 65.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.9 39.48 1.71 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.569 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 6.1 m-85 -106.4 -15.23 14.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 111.051 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -154.86 24.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 71' ' ' LEU . . . -74.37 -54.88 6.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.4 -56.0 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.2 p -56.01 -32.7 64.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.25 -64.94 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.8 -64.06 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -39.48 -64.61 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.7 -56.58 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.6 t -54.01 -49.88 67.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.975 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -173.87 121.55 0.85 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 163.52 35.13 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.549 1.815 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.0 98.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.979 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.1 p -132.45 -57.62 0.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.7 p -133.12 156.93 46.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.026 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.82 -60.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.986 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.53 132.28 7.41 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.85 114.95 2.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.043 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.35 108.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.975 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.93 -171.03 38.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.51 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.4 Cg_endo -74.96 -32.15 5.67 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.651 HD13 ' HE3' ' A' ' 62' ' ' LYS . 43.4 mt -66.97 -73.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -40.13 -56.14 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.869 ' CD ' HD22 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -45.6 -60.29 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.668 HD11 ' SD ' ' A' ' 69' ' ' MET . 0.2 OUTLIER -51.59 -43.51 62.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 10' ' ' SER . . . -58.71 -42.02 87.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -62.74 -27.65 69.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.503 HD12 ' CD2' ' A' ' 70' ' ' LEU . 97.3 mt -79.28 -35.63 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.612 ' NE2' HG13 ' A' ' 46' ' ' VAL . 14.9 mm100 -69.5 -29.45 67.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.449 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 12.0 pt20 -89.02 -43.03 11.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.449 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -63.33 -32.33 73.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.47 ' HD2' HG22 ' A' ' 15' ' ' ILE . 3.9 mtt-85 -77.37 -18.87 56.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.4 mttt 68.81 27.36 5.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 51.6 mm-40 -94.35 -75.6 0.51 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.257 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 167.98 135.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.439 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 2.6 mt-10 -39.39 159.47 0.11 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.486 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.1 Cg_endo -75.03 145.25 31.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.812 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.14 105.04 15.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.598 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 84.1 m-85 -88.01 138.93 31.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mp -135.45 132.46 51.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.669 HD12 ' SD ' ' A' ' 42' ' ' MET . 13.7 tp -79.95 119.56 22.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.609 HD12 HG12 ' A' ' 41' ' ' VAL . 15.0 mt -76.33 -58.1 3.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 m -171.43 -173.63 1.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.995 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.68 105.68 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -157.03 -174.86 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.11 -150.45 18.61 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.55 159.37 0.18 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 111.013 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -54.4 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.563 1.822 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.419 ' CG ' ' N ' ' A' ' 37' ' ' ARG . 35.5 ptt-85 -88.56 -42.26 12.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.419 ' N ' ' CG ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -68.33 -51.31 45.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 37' ' ' ARG . 15.0 mmt85 58.03 156.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' ARG . 0.5 OUTLIER -137.68 118.51 14.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.331 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.567 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 53.8 m-85 -101.42 125.43 48.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.092 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.609 HG12 HD12 ' A' ' 29' ' ' LEU . 14.4 t -90.77 128.84 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.669 ' SD ' HD12 ' A' ' 28' ' ' LEU . 2.5 tpt -125.21 147.61 48.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.445 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 10.1 tt0 -125.45 154.94 41.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.817 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 7.9 p -140.84 131.2 27.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.795 ' HG3' HG23 ' A' ' 50' ' ' VAL . 6.2 tttt -121.41 126.54 49.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.612 HG13 ' NE2' ' A' ' 16' ' ' GLN . 22.5 t -135.22 109.55 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.76 -96.26 0.18 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -123.8 0.51 8.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 0.738 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -100.88 156.75 17.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 110.246 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.795 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -144.47 153.96 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.817 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -150.21 171.14 17.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 p -140.46 160.13 40.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.432 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -148.65 146.96 17.03 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.6 p -136.92 148.2 46.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 110.389 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.13 -168.24 29.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.633 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.4 Cg_endo -75.02 -20.13 17.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.41 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -147.71 159.68 43.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.567 ' HG3' ' CD1' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -50.09 -51.59 41.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -40.34 -70.46 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.633 HD12 ' HG2' ' A' ' 56' ' ' PRO . 93.8 mt -52.91 -41.61 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -51.82 -58.39 6.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.651 ' HE3' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -53.64 -50.7 65.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HG3' HD11 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -48.51 -43.48 35.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -67.49 -33.54 75.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -60.54 -55.45 33.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.658 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -54.3 -41.43 68.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.624 ' HG2' HD12 ' A' ' 71' ' ' LEU . 12.1 tt0 -55.26 -62.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.424 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . . . -44.45 -47.17 9.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.668 ' SD ' HD11 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -56.12 -53.47 56.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 110.993 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.869 HD22 ' CD ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -64.87 -33.44 76.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.636 HD21 ' HB2' ' A' ' 80' ' ' SER . 0.3 OUTLIER -66.83 -38.66 86.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.41 -38.82 62.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 69.9 mt -64.45 -32.04 73.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.18 33.42 4.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.419 ' HB3' ' NH2' ' A' ' 11' ' ' ARG . 5.7 m-85 -105.92 -11.73 16.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 80' ' ' SER . 0.1 OUTLIER -141.16 21.96 2.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.43 -59.76 2.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.4 m -45.3 -57.39 4.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.5 m -59.86 -56.87 16.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.392 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.636 ' HB2' HD21 ' A' ' 71' ' ' LEU . 8.6 t -40.79 -65.31 0.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 0.0 109.957 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 mt -43.01 -67.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -38.91 -61.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -43.48 -58.96 2.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.97 -48.75 67.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -178.65 -179.3 48.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 166.58 28.88 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.9 p -174.9 133.47 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 110.027 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.1 m 59.79 167.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.97 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.6 m -113.73 129.76 56.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.02 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -86.45 88.12 7.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.88 107.85 2.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.452 1.095 . . . . 0.0 111.054 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -94.76 117.63 30.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 109.95 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.97 126.91 13.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.12 -178.13 45.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.512 ' O ' ' HB1' ' A' ' 66' ' ' ALA . 18.3 Cg_endo -75.04 -25.71 11.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.451 1.764 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.681 HD11 ' HA ' ' A' ' 63' ' ' LYS . 14.4 mm -73.69 -67.66 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.31 -55.03 5.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.959 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -45.33 -40.81 8.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 66' ' ' ALA . 0.2 OUTLIER -73.49 -48.06 36.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.57 -42.71 75.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -62.29 -26.24 68.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.513 HG12 ' CE2' ' A' ' 75' ' ' TYR . 63.5 mt -82.84 -33.52 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.626 HE22 HG13 ' A' ' 46' ' ' VAL . 14.0 mm100 -69.69 -24.93 63.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.46 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -91.04 -43.56 9.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.46 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -64.28 -32.24 73.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.459 ' HD2' HG22 ' A' ' 15' ' ' ILE . 3.5 mtt-85 -78.94 -18.12 54.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 mttt 64.13 29.71 13.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 6.1 mm-40 -94.5 -71.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 165.24 137.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 22' ' ' LYS . 51.7 mt-10 -39.27 159.35 0.11 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.477 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.5 Cg_endo -74.96 144.23 30.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.55 102.15 13.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 109.27 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.651 ' CD1' ' CG ' ' A' ' 62' ' ' LYS . 60.1 m-85 -90.88 118.72 30.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.569 HG22 ' H ' ' A' ' 28' ' ' LEU . 2.4 mp -119.44 172.37 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.569 ' H ' HG22 ' A' ' 27' ' ' ILE . 13.6 tp -112.81 117.38 32.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.463 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 10.3 mt -73.99 -56.59 4.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -171.76 -177.91 2.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -142.69 112.15 6.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -151.14 -170.35 3.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 110.293 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.98 170.05 24.22 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.544 1.153 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.4 mtm -41.03 163.04 0.1 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -38.14 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.478 1.778 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.7 -50.46 7.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -51.54 64.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 61.82 143.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 32' ' ' ARG . 4.6 tt0 -141.34 118.07 11.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 57' ' ' ASN . 32.3 m-85 -113.5 122.43 47.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.651 ' HA ' HG22 ' A' ' 54' ' ' THR . 7.2 t -90.39 131.67 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.446 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 4.8 tpt -129.63 138.55 51.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.432 ' HG3' ' CG2' ' A' ' 52' ' ' THR . 9.5 tt0 -110.47 155.12 22.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.248 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 1.017 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 13.5 p -137.54 125.71 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.361 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.83 ' HG3' HG23 ' A' ' 50' ' ' VAL . 10.5 ttmt -116.89 116.02 26.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.626 HG13 HE22 ' A' ' 16' ' ' GLN . 2.1 t -128.06 110.04 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.58 -113.55 4.7 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -107.92 24.54 12.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -127.83 153.77 46.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.83 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -140.96 153.76 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 1.017 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -150.57 173.05 14.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.432 ' CG2' ' HG3' ' A' ' 43' ' ' GLN . 1.4 p -147.57 155.89 42.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.41 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.422 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -152.92 148.67 19.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.651 HG22 ' HA ' ' A' ' 41' ' ' VAL . 72.4 p -137.24 149.02 46.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.371 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -158.96 -161.41 11.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.562 1.163 . . . . 0.0 111.049 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.665 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -75.04 -16.03 20.34 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.478 ' ND2' ' N ' ' A' ' 57' ' ' ASN . 0.3 OUTLIER -156.33 157.87 36.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 10.1 ttmt -49.84 -50.07 46.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.85 -63.92 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.665 HD12 ' HG2' ' A' ' 56' ' ' PRO . 17.9 mt -60.47 -37.28 74.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -51.35 -56.28 13.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.651 ' CG ' ' CD1' ' A' ' 26' ' ' TYR . 4.3 ttmm -52.52 -41.25 63.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.681 ' HA ' HD11 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -61.72 -42.71 99.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -68.5 -24.64 64.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.422 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -74.75 -52.42 11.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.563 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -59.44 -34.33 72.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.721 ' HA ' HD12 ' A' ' 70' ' ' LEU . 24.7 tt0 -62.1 -62.79 1.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.237 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.87 -41.99 16.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.557 ' HG2' HD11 ' A' ' 12' ' ' LEU . 26.1 tpp -56.9 -48.75 77.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 67' ' ' GLU . 2.9 mt -59.65 -44.11 93.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -57.15 -40.47 77.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -37.45 68.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.77 -40.36 95.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.98 36.06 2.43 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.456 1.098 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.513 ' CE2' HG12 ' A' ' 15' ' ' ILE . 19.4 m-85 -106.18 -16.9 14.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -141.21 19.16 2.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.653 ' O ' HD12 ' A' ' 81' ' ' LEU . . . -78.38 -58.32 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.5 t -46.5 -56.24 6.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -56.95 -52.31 65.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.447 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.9 t -45.01 -60.75 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -41.75 -65.2 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -42.45 -63.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.77 -55.84 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.7 t -53.05 -49.52 66.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -164.23 97.62 0.15 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.477 1.11 . . . . 0.0 111.03 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.49 38.66 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.6 m 51.54 79.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.1 t -107.84 -58.15 2.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.978 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.63 -58.65 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.8 m -109.15 80.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.53 150.91 40.72 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.143 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.85 162.88 2.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 0.744 . . . . 0.0 109.956 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.73 169.58 11.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.12 165.82 15.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.549 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.2 Cg_endo -75.05 -28.33 9.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.538 HD11 ' HA ' ' A' ' 63' ' ' LYS . 20.2 mm -65.12 -69.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.34 -54.82 15.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.011 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.2 ttt85 -44.07 -52.99 6.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -62.7 -43.0 99.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.37 -39.98 89.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -64.16 -28.87 70.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.252 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.578 HG22 ' HD2' ' A' ' 19' ' ' ARG . 50.2 mt -78.39 -36.35 20.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.872 ' NE2' HG13 ' A' ' 46' ' ' VAL . 3.8 mm-40 -66.36 -35.44 80.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.484 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 2.3 pt20 -79.43 -45.38 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.484 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -64.1 -30.41 71.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.578 ' HD2' HG22 ' A' ' 15' ' ' ILE . 31.3 mtt-85 -77.15 -18.45 57.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.25 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.7 mttt 66.19 30.13 9.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 8.0 mm-40 -96.21 -73.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 163.58 138.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 22' ' ' LYS . 5.5 mt-10 -37.89 155.72 0.1 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.463 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -75.01 143.91 29.58 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.99 105.75 17.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.578 ' CD1' ' HG3' ' A' ' 62' ' ' LYS . 85.5 m-85 -89.91 129.0 36.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 28' ' ' LEU . 2.5 mp -123.62 164.88 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.522 ' C ' HD13 ' A' ' 28' ' ' LEU . 2.5 tm? -108.5 110.79 22.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.566 HD12 ' CG1' ' A' ' 41' ' ' VAL . 9.5 mt -70.2 -59.75 2.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 t -170.41 -166.6 0.54 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 110.028 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.468 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 0.7 OUTLIER -156.83 122.96 4.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.68 168.01 16.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.52 168.73 11.79 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.6 mtp -50.58 164.41 0.41 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -41.62 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -56.8 -54.32 47.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.238 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.21 80.34 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -57.99 -179.56 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.09 139.49 28.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 54' ' ' THR . 57.7 m-85 -127.2 129.79 48.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.566 ' CG1' HD12 ' A' ' 29' ' ' LEU . 20.0 t -91.23 126.75 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.0 tpt -127.53 129.88 48.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -102.51 155.14 18.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.518 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 9.1 p -141.46 127.59 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.796 ' HG3' HG23 ' A' ' 50' ' ' VAL . 2.0 ttmt -111.3 125.03 53.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.872 HG13 ' NE2' ' A' ' 16' ' ' GLN . 4.3 t -128.61 110.24 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.97 -101.85 0.3 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.474 1.108 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -120.18 24.65 10.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -127.93 162.0 27.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.265 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.796 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -145.2 150.42 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.518 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -146.47 166.58 25.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 p -133.97 152.4 51.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.408 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -149.53 151.09 23.25 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.513 HG22 ' HA ' ' A' ' 41' ' ' VAL . 22.3 p -134.32 159.49 40.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 110.369 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -167.94 -172.71 35.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.674 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -75.07 -9.51 20.7 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.541 1.811 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -159.81 152.38 21.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.322 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.676 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 10.6 mtpt -44.12 -51.49 7.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.41 -69.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.674 HD12 ' HG2' ' A' ' 56' ' ' PRO . 73.9 mt -54.48 -38.02 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -50.41 -56.88 9.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.578 ' HG3' ' CD1' ' A' ' 26' ' ' TYR . 5.0 ttmm -55.79 -34.56 65.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.538 ' HA ' HD11 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -64.25 -38.02 89.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -74.86 -26.34 59.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.408 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -64.9 -55.5 18.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.713 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -56.5 -46.56 80.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.702 ' HA ' HD12 ' A' ' 70' ' ' LEU . 22.7 tt0 -46.51 -64.42 0.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.67 -61.06 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.586 ' HG2' HD11 ' A' ' 12' ' ' LEU . 29.7 tpp -39.52 -53.15 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' A' ' 67' ' ' GLU . 3.2 mt -55.97 -48.86 75.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -59.52 -42.65 92.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.416 ' OE1' ' SD ' ' A' ' 69' ' ' MET . 0.7 OUTLIER -67.41 -30.78 70.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 69' ' ' MET . 62.1 mt -74.62 -34.05 62.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.41 40.17 2.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -106.01 -13.26 15.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.579 ' O ' HD13 ' A' ' 71' ' ' LEU . 13.8 mttt -149.64 44.82 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.59 -41.12 9.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.5 t -69.35 -66.93 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 109.945 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.3 t -49.32 -31.94 10.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.382 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 84' ' ' SER . 4.2 t -68.92 -63.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.45 -32.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.416 ' N ' ' C ' ' A' ' 80' ' ' SER . 1.8 tt0 -52.38 -64.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -94.56 -54.49 3.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 80' ' ' SER . 0.1 OUTLIER -53.71 -48.2 69.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.0 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.15 175.09 14.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 175.85 10.7 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.519 1.8 . . . . 0.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.0 t -67.07 -59.6 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 61.48 96.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.971 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.147 . . . . 0.0 110.979 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 t -93.44 -58.04 2.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -178.26 147.16 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.11 156.98 12.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.549 1.155 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -125.7 -53.79 1.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 0.761 . . . . 0.0 109.98 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -98.15 102.59 14.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.966 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.14 162.8 29.93 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.631 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.2 Cg_endo -75.05 -28.85 8.73 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.467 1.772 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.599 HD11 ' HA ' ' A' ' 63' ' ' LYS . 18.7 mm -62.73 -66.24 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.65 -55.95 21.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -41.9 -37.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.682 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.0 OUTLIER -76.08 -49.39 17.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.43 -41.83 85.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -60.05 -30.34 69.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.294 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.46 ' CD1' HD23 ' A' ' 70' ' ' LEU . 59.4 mt -77.67 -38.33 25.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.482 ' CB ' ' HA ' ' A' ' 23' ' ' GLU . 19.2 mm100 -65.96 -38.99 90.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.427 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 11.8 pt20 -77.44 -41.81 38.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.427 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -66.42 -26.28 67.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -81.2 -20.65 40.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt 67.25 29.93 7.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 31.7 mm-40 -100.27 -77.25 0.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.357 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 1.5 tppt? 179.59 132.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.482 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 0.9 OUTLIER -46.08 162.48 0.24 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.492 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.2 Cg_endo -74.95 146.09 32.46 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.01 105.31 14.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.569 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 61.5 m-85 -87.42 135.11 33.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.15 . . . . 0.0 111.022 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -133.87 130.19 55.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.654 HD13 ' HG3' ' A' ' 58' ' ' LYS . 13.1 tp -78.54 117.43 19.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.7 HD12 HG12 ' A' ' 41' ' ' VAL . 14.3 mt -73.89 -62.49 1.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -166.42 -175.36 3.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.472 ' HG2' ' CD2' ' A' ' 40' ' ' PHE . 68.5 mt-10 -146.65 100.12 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -147.57 160.69 42.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 144.1 -162.91 27.82 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.4 mtm -57.78 159.8 9.26 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -40.83 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -81.26 -25.68 36.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -144.83 78.11 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.47 173.8 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.472 ' CB ' ' O ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -125.94 112.01 15.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.472 ' CD2' ' HG2' ' A' ' 31' ' ' GLU . 24.2 m-85 -96.89 120.5 37.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.7 HG12 HD12 ' A' ' 29' ' ' LEU . 21.8 t -89.4 125.66 42.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.432 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -122.94 148.71 45.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 111.038 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.443 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 9.6 tt0 -124.49 152.71 43.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.924 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 12.7 p -139.2 127.27 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.701 ' HG3' HG23 ' A' ' 50' ' ' VAL . 10.4 ttmt -116.9 119.84 36.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.492 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.1 t -127.96 109.63 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.18 -103.12 0.3 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -118.2 28.05 8.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -128.62 153.8 46.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.268 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.701 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -140.29 146.48 24.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.924 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -145.24 169.42 18.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.0 p -135.79 155.88 49.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.376 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.438 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -142.58 146.41 17.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.135 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.7 p -132.1 160.0 37.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 176.58 -172.2 45.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.127 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.585 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -75.01 -29.08 8.58 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.52 1.8 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -137.61 147.53 45.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.654 ' HG3' HD13 ' A' ' 28' ' ' LEU . 5.6 ttmt -40.04 -48.62 2.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -41.28 -76.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.585 HD12 ' HG2' ' A' ' 56' ' ' PRO . 69.2 mt -46.86 -52.42 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.98 -37.29 8.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.569 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.13 -39.74 75.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.599 ' HA ' HD11 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -65.86 -39.69 90.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -67.52 -26.95 66.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.438 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -65.43 -56.28 13.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.635 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -56.78 -46.69 81.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.528 ' O ' HD23 ' A' ' 71' ' ' LEU . 15.7 tt0 -42.25 -64.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.8 -54.92 23.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.682 ' HG2' HD11 ' A' ' 12' ' ' LEU . 24.2 tpp -44.21 -37.64 3.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 66' ' ' ALA . 1.3 mt -76.76 -52.94 8.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.576 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -51.46 -46.05 62.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.423 ' HG2' ' N ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -67.12 -47.38 71.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.561 HD23 ' HE2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -47.72 -56.53 7.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.43 39.11 0.45 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.128 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.561 ' HE2' HD23 ' A' ' 73' ' ' LEU . 79.4 m-85 -106.45 -23.37 12.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.753 . . . . 0.0 111.044 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.24 29.11 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 71' ' ' LEU . . . -82.53 -59.12 2.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -44.26 -55.67 4.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.7 m -56.18 -52.32 64.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 110.408 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.1 t -46.14 -62.46 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.949 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 82' ' ' GLN . 5.8 mp -52.15 -62.89 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' LEU . 47.2 mt-30 -38.9 -61.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.53 -55.14 2.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.52 -49.97 75.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.955 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -148.35 97.44 0.18 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.426 1.079 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 159.63 40.9 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.45 1.763 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.75 -59.81 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.32 -62.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.115 . . . . 0.0 111.033 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 m -161.08 140.05 10.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.014 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.63 158.94 44.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.951 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.66 102.6 0.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -89.56 73.56 7.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 0.799 . . . . 0.0 109.965 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.7 p -168.64 127.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.152 . . . . 0.0 109.969 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.46 174.98 13.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.698 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.4 Cg_endo -74.99 -33.16 4.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.594 HD13 ' HB2' ' A' ' 66' ' ' ALA . 40.4 mm -62.41 -70.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.93 -50.76 18.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.629 ' NE ' HD22 ' A' ' 70' ' ' LEU . 4.8 ttt180 -49.3 -50.85 37.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.717 HD12 ' HA ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -60.75 -45.01 95.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.1 -41.89 79.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -64.11 -27.52 69.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.337 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.5 HD12 ' CD2' ' A' ' 70' ' ' LEU . 94.8 mt -79.27 -33.87 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.586 ' NE2' HG13 ' A' ' 46' ' ' VAL . 15.9 mm100 -72.66 -31.11 64.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.446 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 8.1 pt20 -85.59 -42.88 13.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -64.05 -33.27 75.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -75.5 -18.85 59.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.2 mttt 67.82 27.77 7.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 25.9 mm-40 -94.88 -75.58 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 170.14 133.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.417 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 1.7 mp0 -39.22 158.83 0.11 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.472 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -75.0 145.42 31.41 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.491 1.785 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.4 103.77 15.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.488 ' CZ ' HD12 ' A' ' 9' ' ' ILE . 45.5 m-85 -89.46 135.43 33.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 28' ' ' LEU . 2.6 mp -133.76 167.58 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.604 HD23 ' HG3' ' A' ' 58' ' ' LYS . 2.6 tm? -109.1 111.91 23.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.647 HD12 HG12 ' A' ' 41' ' ' VAL . 10.2 mt -68.25 -63.22 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.16 -169.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.962 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.569 ' HG3' ' CE2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -145.25 117.25 8.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.278 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -170.84 145.06 2.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.49 53.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.5 mtt 63.55 156.08 0.12 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.754 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -27.98 9.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.82 -44.17 77.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -152.46 74.73 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.345 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -48.71 119.58 3.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 28.5 tt0 -93.59 121.4 34.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.569 ' CE2' ' HG3' ' A' ' 31' ' ' GLU . 5.9 m-85 -90.91 158.63 16.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.647 HG12 HD12 ' A' ' 29' ' ' LEU . 23.0 t -124.83 120.94 60.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.409 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -115.68 147.14 41.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 111.054 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.47 ' CD ' HD21 ' A' ' 29' ' ' LEU . 10.7 tt0 -122.22 154.9 36.9 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.783 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 10.9 p -140.38 130.44 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.755 ' HG3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -119.17 121.72 40.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.586 HG13 ' NE2' ' A' ' 16' ' ' GLN . 7.1 t -130.37 109.86 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.98 -106.41 0.89 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -114.95 25.02 11.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -126.7 155.68 42.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.755 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -144.25 149.43 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.783 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -146.41 168.98 19.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.491 ' CG2' HD11 ' A' ' 29' ' ' LEU . 1.3 p -141.47 159.16 42.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.426 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.418 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -147.89 156.48 26.95 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.5 p -135.82 159.73 40.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 0.789 . . . . 0.0 110.404 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 39' ' ' GLU . . . -177.05 -172.47 41.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.465 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -75.03 -21.86 15.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.798 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -142.85 161.89 36.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.604 ' HG3' HD23 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -52.18 -49.19 64.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -41.0 -76.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.465 HD12 ' HG2' ' A' ' 56' ' ' PRO . 54.2 mt -45.93 -50.49 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -47.18 -32.97 4.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.504 ' HD2' ' CD1' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -72.25 -48.77 40.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -41.23 79.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -61.64 -35.22 77.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -60.63 -49.76 76.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.818 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -58.1 -44.26 87.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.545 ' O ' HD23 ' A' ' 71' ' ' LEU . 8.3 tt0 -49.36 -66.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.65 -61.43 1.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.698 ' SD ' HD11 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -39.03 -52.13 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 110.996 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.818 HD12 ' O ' ' A' ' 66' ' ' ALA . 1.1 mt -64.29 -52.86 56.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -48.8 -45.67 40.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.453 ' CG ' ' N ' ' A' ' 73' ' ' LEU . 0.1 OUTLIER -68.91 -47.7 65.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.577 ' HB3' ' CD2' ' A' ' 75' ' ' TYR . 0.1 OUTLIER -45.45 -56.77 4.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.14 37.14 0.54 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.57 1.169 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.577 ' CD2' ' HB3' ' A' ' 73' ' ' LEU . 81.9 m-85 -106.92 -22.27 12.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 111.052 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -145.12 26.09 1.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 71' ' ' LEU . . . -81.79 -49.61 10.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.5 m -60.08 -55.69 30.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.001 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.6 m -52.13 -45.44 64.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.383 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.9 t -42.14 -65.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.03 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 82' ' ' GLN . 0.2 OUTLIER -49.44 -61.52 2.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 81' ' ' LEU . 21.5 mt-30 -38.95 -62.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -40.5 -55.77 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 t -53.5 -50.0 66.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.014 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -97.78 -147.16 21.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 179.77 5.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.483 1.78 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 t -133.25 -57.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.013 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 m -64.22 -60.25 3.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.015 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.646 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.4 Cg_endo -75.04 -32.52 5.27 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.437 1.756 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.661 HD11 ' HA ' ' A' ' 63' ' ' LYS . 10.5 mm -63.99 -67.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 t -49.74 -53.09 27.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.951 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -46.77 -38.26 9.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.693 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.0 OUTLIER -75.42 -47.65 26.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.17 -42.95 82.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -61.4 -28.77 69.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.527 HD12 ' CD2' ' A' ' 70' ' ' LEU . 53.2 mt -79.21 -35.86 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 17.9 mm100 -68.64 -33.52 74.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.44 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 11.7 pt20 -83.73 -42.68 16.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.44 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -64.31 -31.0 72.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.435 ' HD2' HG22 ' A' ' 15' ' ' ILE . 3.4 mtt-85 -77.39 -18.76 57.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 mttt 66.1 30.83 9.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.34 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 19.8 mm-40 -99.29 -73.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 170.36 136.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -42.03 160.58 0.17 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.478 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.2 Cg_endo -74.98 150.51 38.37 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.64 104.04 12.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 66.9 m-85 -88.15 133.97 33.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.458 HD13 HE21 ' A' ' 43' ' ' GLN . 1.6 mp -132.88 131.82 59.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.539 ' C ' HD13 ' A' ' 28' ' ' LEU . 2.5 tm? -80.5 116.31 20.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.66 HD12 HG12 ' A' ' 41' ' ' VAL . 14.0 mt -73.33 -64.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.7 -170.81 2.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.551 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.551 ' CD2' ' HB3' ' A' ' 31' ' ' GLU . 15.7 m-85 -103.06 128.91 49.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.66 HG12 HD12 ' A' ' 29' ' ' LEU . 21.7 t -93.9 120.65 43.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.405 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -116.69 147.94 41.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.991 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.458 HE21 HD13 ' A' ' 27' ' ' ILE . 8.5 tt0 -123.73 150.38 44.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.908 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 14.8 p -137.36 129.73 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.671 ' HG3' HG23 ' A' ' 50' ' ' VAL . 11.2 ttmt -117.38 116.93 28.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.506 ' HB ' ' HE3' ' A' ' 69' ' ' MET . 2.6 t -125.47 110.4 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.38 -109.04 1.72 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 111.05 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -113.05 25.49 11.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 0.773 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -129.37 157.05 43.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.671 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -140.87 153.4 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.908 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -148.13 169.26 20.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.1 p -132.09 157.3 44.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.423 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -143.83 131.11 4.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.1 p -124.08 137.79 54.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.388 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -156.51 -174.76 26.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.473 1.108 . . . . 0.0 110.969 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.405 ' HD2' ' CD1' ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.99 -15.58 20.69 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.491 1.785 . . . . 0.0 111.052 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -147.85 155.71 41.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.56 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -45.95 -53.09 10.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -40.26 -73.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.405 ' CD1' ' HD2' ' A' ' 56' ' ' PRO . 65.0 mt -46.16 -48.5 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -47.26 -32.63 4.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.573 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -78.84 -45.3 21.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.661 ' HA ' HD11 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -60.56 -38.51 84.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -72.03 -24.8 61.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -65.08 -57.0 9.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.646 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -57.57 -46.9 83.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -44.32 -52.66 7.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.44 -42.47 98.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.163 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.693 ' HG2' HD11 ' A' ' 12' ' ' LEU . 27.9 tpp -59.15 -38.18 79.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.527 ' CD2' HD12 ' A' ' 15' ' ' ILE . 6.6 mt -72.82 -39.04 66.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.93 -47.81 60.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.578 ' OE1' ' HB2' ' A' ' 51' ' ' ALA . 2.9 pt20 -57.99 -33.26 68.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.492 ' HA ' HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -72.13 -38.34 69.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.89 37.04 2.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.474 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 5.9 m-85 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.559 0.8 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.654 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.2 Cg_endo -75.01 -33.29 4.68 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.49 HD11 ' HA ' ' A' ' 63' ' ' LYS . 38.0 mm -61.12 -66.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -60.66 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.026 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.6 ttt85 -39.02 -41.96 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.501 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.1 OUTLIER -72.13 -49.58 34.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.71 -46.31 77.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -58.21 -30.39 66.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.502 ' CD1' ' CD2' ' A' ' 70' ' ' LEU . 41.8 mt -77.23 -36.84 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 18.3 mm100 -67.59 -33.82 75.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 2.3 pt20 -85.34 -45.1 12.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.479 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -60.1 -32.65 71.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.482 HH12 HD22 ' A' ' 73' ' ' LEU . 15.9 mtt180 -79.54 -19.06 50.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.4 mttt 66.53 30.82 8.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 6.6 mm-40 -96.25 -73.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER 169.83 134.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.443 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 4.1 mt-10 -40.97 160.79 0.13 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.471 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -74.96 148.17 35.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.504 1.792 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.5 101.33 11.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.574 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 54.7 m-85 -88.62 131.51 34.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 28' ' ' LEU . 2.2 mp -127.85 168.24 21.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.5 ' C ' HD13 ' A' ' 28' ' ' LEU . 2.7 tm? -111.24 112.47 24.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.626 HD12 HG12 ' A' ' 41' ' ' VAL . 11.9 mt -69.96 -61.54 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.99 -171.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.578 ' HG3' ' CE2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.578 ' CE2' ' HG3' ' A' ' 31' ' ' GLU . 15.3 m-85 -108.51 139.65 42.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.626 HG12 HD12 ' A' ' 29' ' ' LEU . 17.0 t -103.35 120.09 52.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.417 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 3.8 tpt -119.07 142.74 47.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.975 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.414 ' CD ' HD21 ' A' ' 29' ' ' LEU . 11.0 tt0 -116.98 156.18 27.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.936 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 12.5 p -139.71 130.21 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.736 ' HG3' HG23 ' A' ' 50' ' ' VAL . 26.7 tttt -120.61 118.62 30.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.2 t -128.98 110.0 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.36 -110.57 2.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -110.98 24.53 12.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.783 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -127.4 155.42 43.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.736 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -142.01 154.18 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.936 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -151.26 172.63 15.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 p -142.38 160.02 41.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.428 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -151.91 146.92 16.12 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 40' ' ' PHE . 41.0 p -134.88 154.96 51.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 0.731 . . . . 0.0 110.393 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -171.89 -165.47 29.11 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.536 1.148 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.701 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.95 -27.21 10.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.453 1.765 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.481 ' OD1' HD12 ' A' ' 60' ' ' ILE . 5.0 p-10 -141.06 153.71 45.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.519 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 5.6 ttmt -48.06 -51.56 23.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' LYS . 6.9 mmtp -39.79 -62.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.701 HD12 ' HG2' ' A' ' 56' ' ' PRO . 68.3 mt -57.61 -43.74 83.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -49.0 -52.17 26.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.574 ' HG2' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -54.51 -43.92 72.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.49 ' HA ' HD11 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -59.76 -41.75 91.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -66.76 -27.17 67.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -63.11 -55.47 25.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.654 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -58.01 -47.3 83.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -46.12 -52.68 11.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.91 -39.55 94.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.501 ' HG2' HD11 ' A' ' 12' ' ' LEU . 32.5 tpp -63.1 -47.22 83.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.502 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 3.7 mt -64.28 -34.05 77.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -38.34 85.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -36.65 63.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.482 HD22 HH12 ' A' ' 19' ' ' ARG . 59.4 mt -65.72 -28.6 69.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.32 33.78 5.56 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 111.002 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.562 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.3 Cg_endo -74.99 -31.89 5.85 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.801 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.538 HD11 ' HA ' ' A' ' 63' ' ' LYS . 22.9 mm -65.12 -72.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.46 -54.91 2.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -47.8 -43.93 28.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.602 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.0 OUTLIER -67.56 -49.71 61.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.93 -42.44 80.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -61.79 -28.79 69.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.537 ' CD1' ' CD2' ' A' ' 70' ' ' LEU . 41.0 mt -78.73 -35.81 18.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.524 ' NE2' HG13 ' A' ' 46' ' ' VAL . 15.9 mm100 -67.07 -35.94 80.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.457 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 2.1 pt20 -82.06 -43.89 17.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.457 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -63.7 -29.78 70.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.092 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.518 ' HD2' HG22 ' A' ' 15' ' ' ILE . 9.3 mtt-85 -79.23 -19.74 49.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.0 mttt 68.32 25.05 7.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 59.4 mm-40 -92.32 -76.74 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 2.5 tptm 172.45 136.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -42.32 159.22 0.2 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.484 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -75.01 147.2 33.56 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.441 1.758 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.06 104.1 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.593 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 95.9 m-85 -87.87 138.83 31.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mp -134.32 131.0 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.462 ' C ' HD13 ' A' ' 28' ' ' LEU . 3.5 tm? -78.47 111.1 14.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.432 ' CD2' ' HB2' ' A' ' 43' ' ' GLN . 5.1 mt -68.5 -62.22 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.68 175.32 4.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -117.81 122.96 44.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.591 ' HA ' HG22 ' A' ' 54' ' ' THR . 10.9 t -89.59 119.8 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.539 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 4.4 tpt -116.43 143.44 45.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.452 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 10.5 tt0 -119.19 153.42 34.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.907 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 15.0 p -138.85 132.52 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.698 ' HG3' HG23 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -122.41 119.98 32.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.247 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.524 HG13 ' NE2' ' A' ' 16' ' ' GLN . 2.3 t -129.19 110.14 19.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.73 -107.97 1.37 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.564 1.165 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.58 24.98 11.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.763 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.58 156.39 42.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.698 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -142.74 154.05 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.907 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -150.64 171.46 17.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 42' ' ' MET . 1.9 p -142.3 156.13 45.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.428 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -150.85 139.7 7.41 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.591 HG22 ' HA ' ' A' ' 41' ' ' VAL . 18.7 p -128.38 151.06 49.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 110.427 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -165.12 -166.09 23.5 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.736 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.98 -20.91 16.45 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.474 1.776 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -148.85 154.72 39.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.647 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -45.98 -52.73 11.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.415 ' NZ ' ' HD2' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -39.42 -68.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.736 HD12 ' HG2' ' A' ' 56' ' ' PRO . 71.0 mt -54.61 -38.77 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -51.79 -54.36 29.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.593 ' HG2' ' CE1' ' A' ' 26' ' ' TYR . 3.7 ttmm -56.97 -46.65 82.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.538 ' HA ' HD11 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -53.97 -41.0 67.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -74.3 -23.95 59.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -65.86 -51.87 55.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.562 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -60.9 -40.52 93.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.447 ' O ' HD12 ' A' ' 71' ' ' LEU . 18.8 tt0 -48.26 -54.62 13.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.41 -41.21 93.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.602 ' HG2' HD11 ' A' ' 12' ' ' LEU . 34.3 tpp -60.62 -41.76 95.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.537 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 3.3 mt -72.58 -30.68 64.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -70.05 -41.38 74.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -38.04 78.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.569 ' HB3' ' CD1' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -64.08 -33.27 75.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.31 36.05 3.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.569 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 7.8 m-85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.553 0.796 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.515 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.2 Cg_endo -74.96 -33.09 4.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.52 1.8 . . . . 0.0 111.045 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.485 HD13 ' HE3' ' A' ' 62' ' ' LYS . 31.6 mt -67.6 -73.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.51 -50.92 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.968 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -53.02 -46.28 68.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.458 ' HA ' HD21 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -65.86 -49.78 66.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.22 -43.28 82.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -61.16 -28.9 69.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.552 HD12 ' CD2' ' A' ' 70' ' ' LEU . 47.1 mt -78.59 -35.96 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.526 ' NE2' HG13 ' A' ' 46' ' ' VAL . 15.8 mm100 -65.87 -32.14 73.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.42 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 2.4 pt20 -88.83 -42.09 12.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -61.34 -30.52 70.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.483 ' HD2' HG22 ' A' ' 15' ' ' ILE . 6.0 mtt-85 -84.38 -18.6 35.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 mttm 67.99 28.53 6.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 46.3 mm-40 -92.04 -74.36 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER 170.01 135.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.266 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.434 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 18.0 mt-10 -42.54 159.28 0.2 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.478 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -74.99 148.56 35.5 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.5 1.79 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.77 104.16 13.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.578 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 71.4 m-85 -88.05 135.21 33.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -132.49 131.59 60.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.501 HD13 ' HG3' ' A' ' 58' ' ' LYS . 12.1 tp -80.35 115.93 20.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.77 HD12 HG12 ' A' ' 41' ' ' VAL . 20.6 mt -71.01 -64.3 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.62 -164.55 0.66 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -112.37 124.25 52.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.77 HG12 HD12 ' A' ' 29' ' ' LEU . 16.1 t -88.87 130.45 38.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.401 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -128.23 147.77 50.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.434 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 9.1 tt0 -123.72 153.77 40.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 110.351 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.898 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 14.7 p -138.86 133.05 41.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.63 ' HG3' HG23 ' A' ' 50' ' ' VAL . 1.3 ttmt -122.57 118.77 29.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.526 HG13 ' NE2' ' A' ' 16' ' ' GLN . 2.6 t -128.08 110.14 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.97 -107.68 1.29 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.104 . . . . 0.0 111.032 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -113.7 24.26 12.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -126.75 156.01 41.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.63 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -142.53 154.26 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.898 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -151.14 173.26 14.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 42' ' ' MET . 1.9 p -141.36 158.95 43.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.4 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.425 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -147.74 152.84 24.89 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.501 1.125 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 21.6 p -136.89 157.86 45.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 110.393 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.81 -172.19 42.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.481 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.1 Cg_endo -74.99 -25.12 12.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.412 ' ND2' HG13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -138.0 163.2 32.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.501 ' HG3' HD13 ' A' ' 28' ' ' LEU . 11.9 ttmt -56.52 -42.72 78.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.95 -68.32 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.481 HD12 ' HG2' ' A' ' 56' ' ' PRO . 28.4 mt -53.28 -50.74 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.12 -39.51 28.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.578 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -68.05 -48.41 65.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.443 ' HG3' HD11 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -53.74 -45.51 70.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -61.28 -34.63 75.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -60.03 -48.16 82.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.526 ' HB2' ' OH ' ' A' ' 26' ' ' TYR . . . -64.36 -36.57 84.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.59 ' HG2' HD12 ' A' ' 71' ' ' LEU . 17.7 tt0 -60.11 -54.41 46.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.73 -41.91 67.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.466 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 36.9 tpp -60.53 -50.7 72.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.552 ' CD2' HD12 ' A' ' 15' ' ' ILE . 1.9 mt -64.14 -34.09 77.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.59 HD12 ' HG2' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -67.17 -38.32 85.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.66 -38.81 62.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.2 mt -62.81 -28.77 70.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.93 34.46 5.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.432 1.083 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 110.992 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.665 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.2 Cg_endo -75.04 -34.05 4.08 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.45 1.763 . . . . 0.0 110.954 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.1 mt -65.59 -73.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -38.8 -50.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.2 ttt85 -54.35 -49.62 69.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.695 HD21 HG21 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -62.84 -42.33 99.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.05 -44.07 96.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -59.82 -27.81 66.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.704 HG22 ' HD2' ' A' ' 19' ' ' ARG . 20.4 mt -80.81 -36.9 15.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.921 ' NE2' HG13 ' A' ' 46' ' ' VAL . 4.2 mm-40 -65.49 -32.34 73.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.341 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.401 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 8.9 pt20 -85.41 -40.68 16.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.401 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -68.62 -27.65 66.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.704 ' HD2' HG22 ' A' ' 15' ' ' ILE . 49.4 mtt-85 -79.96 -17.5 52.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt 66.92 27.67 8.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 10.4 mm-40 -94.04 -73.59 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 163.61 138.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -37.91 156.62 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.506 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.2 Cg_endo -75.0 148.97 35.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -108.64 105.33 14.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.579 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 68.3 m-85 -88.55 134.19 33.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -131.22 130.43 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.672 HD13 ' HG3' ' A' ' 58' ' ' LYS . 15.6 tp -78.71 119.63 22.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.835 HD12 HG12 ' A' ' 41' ' ' VAL . 20.7 mt -77.25 -62.25 1.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.92 -178.13 4.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.947 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.501 ' CD1' ' HA ' ' A' ' 57' ' ' ASN . 13.7 m-85 -104.52 121.83 44.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.835 HG12 HD12 ' A' ' 29' ' ' LEU . 15.8 t -88.74 122.57 40.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -121.43 149.36 43.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 8.1 tt0 -124.82 152.58 43.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.883 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 14.6 p -137.53 132.05 44.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.617 ' HG3' HG23 ' A' ' 50' ' ' VAL . 2.8 ttmt -119.4 117.17 27.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.921 HG13 ' NE2' ' A' ' 16' ' ' GLN . 7.1 t -125.89 109.89 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 0.0 109.272 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.4 -109.49 1.98 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.94 24.9 12.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -128.57 157.41 41.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.617 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -142.2 155.5 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.883 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -151.22 173.57 14.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.2 p -137.55 160.51 38.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.366 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.437 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -148.1 140.14 8.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.1 p -127.8 151.98 48.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.415 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.66 -172.56 38.48 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.12 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.401 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.4 Cg_endo -75.01 -14.2 21.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.463 1.77 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.501 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 16.7 p30 -151.93 167.17 29.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.672 ' HG3' HD13 ' A' ' 28' ' ' LEU . 20.6 ttmt -55.67 -50.86 69.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 1.4 mmtt -40.76 -76.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.457 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 62.6 mt -46.83 -54.36 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.97 -39.03 5.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.63 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -68.91 -49.62 56.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.04 -46.85 72.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -60.35 -31.14 70.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -60.46 -50.47 73.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.665 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -61.05 -41.87 97.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -51.79 -58.61 5.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.69 -45.89 67.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.471 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 23.0 tpp -56.17 -48.95 75.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.572 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 3.5 mt -64.94 -31.28 72.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -37.28 75.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -37.03 65.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 75' ' ' TYR . 3.9 mp -63.0 -36.18 82.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.71 29.57 4.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.459 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 7.5 m-85 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.458 0.74 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.602 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.1 Cg_endo -75.02 -37.02 2.2 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.479 ' CD1' ' HD2' ' A' ' 62' ' ' LYS . 38.9 mm -62.07 -65.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.94 -55.65 7.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.955 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.2 ttt85 -47.35 -45.03 24.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.6 HD21 HG21 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -66.65 -49.7 65.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.75 -45.29 82.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -58.62 -29.81 66.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.526 HD12 ' CD2' ' A' ' 70' ' ' LEU . 42.5 mt -78.28 -36.71 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.447 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 17.1 mm100 -67.52 -33.68 75.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.424 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 11.2 pt20 -84.65 -41.41 16.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.424 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -66.0 -29.35 69.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.454 ' HD2' HG22 ' A' ' 15' ' ' ILE . 15.1 mtt-85 -79.72 -19.49 48.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.1 mttt 67.13 27.76 8.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -95.83 -75.09 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.241 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.28 136.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.426 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 9.5 mt-10 -42.73 160.72 0.19 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.484 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.2 Cg_endo -74.98 148.67 35.69 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -113.1 104.38 12.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.577 ' CE2' ' HG2' ' A' ' 62' ' ' LYS . 95.9 m-85 -87.05 142.13 28.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -135.93 131.61 49.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.5 tp -77.26 123.36 26.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.722 HD12 HG12 ' A' ' 41' ' ' VAL . 15.1 mt -80.34 -61.15 2.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.36 167.98 8.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.502 ' HG2' ' CD2' ' A' ' 40' ' ' PHE . 1.2 mt-10 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 30.7 tt0 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.502 ' CD2' ' HG2' ' A' ' 31' ' ' GLU . 30.5 m-85 -118.99 123.98 45.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.722 HG12 HD12 ' A' ' 29' ' ' LEU . 20.5 t -88.84 119.16 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.575 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 4.4 tpt -117.05 148.61 41.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.455 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 9.0 tt0 -121.87 154.48 37.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.835 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 8.0 p -138.87 132.41 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.723 ' HG3' HG23 ' A' ' 50' ' ' VAL . 4.3 ttmt -120.64 120.27 35.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.6 HG21 HD21 ' A' ' 12' ' ' LEU . 2.6 t -129.14 110.04 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.74 -108.33 1.51 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.16 24.69 12.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 0.777 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -127.53 156.84 41.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.723 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -142.71 154.82 17.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.835 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -151.95 175.31 12.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 42' ' ' MET . 1.8 p -143.52 157.6 44.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.423 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -144.94 151.06 23.27 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.115 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 47.4 p -137.09 149.69 47.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 110.401 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 39' ' ' GLU . . . -168.87 -165.62 26.57 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.649 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.96 -18.28 18.96 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.447 1.762 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -153.27 157.43 40.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 4.9 ttmt -49.71 -48.97 49.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 58' ' ' LYS . 3.5 mmtp -39.36 -64.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.649 HD12 ' HG2' ' A' ' 56' ' ' PRO . 76.6 mt -60.61 -41.52 88.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.575 ' HB1' ' HB2' ' A' ' 42' ' ' MET . . . -48.22 -48.74 34.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.577 ' HG2' ' CE2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -57.53 -47.91 80.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' CB ' ' HG2' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -56.66 -41.68 77.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -67.24 -28.03 67.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -65.46 -51.49 59.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.602 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -61.26 -43.5 98.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.403 ' HG2' HD12 ' A' ' 71' ' ' LEU . 22.2 tt0 -51.09 -52.52 42.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.76 -40.93 89.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.475 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 41.2 tpp -62.27 -49.78 74.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.526 ' CD2' HD12 ' A' ' 15' ' ' ILE . 2.8 mt -62.42 -35.86 80.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.403 HD12 ' HG2' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -66.46 -38.4 87.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -39.05 62.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.5 mt -62.34 -30.24 71.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.52 33.88 4.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.542 0.79 . . . . 0.0 111.042 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.658 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.3 Cg_endo -74.98 -32.26 5.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.556 HD11 ' HD2' ' A' ' 62' ' ' LYS . 41.3 mt -67.61 -73.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -38.27 -44.03 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.0 ttt85 -61.33 -49.16 78.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.581 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.1 OUTLIER -65.23 -47.71 75.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.44 -42.8 78.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -61.79 -26.88 68.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.536 HD12 ' CD2' ' A' ' 70' ' ' LEU . 61.9 mt -81.69 -34.56 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.483 ' NE2' HG13 ' A' ' 46' ' ' VAL . 15.7 mm100 -70.42 -27.05 63.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.492 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 3.1 pt20 -91.18 -46.26 8.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.492 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -59.11 -34.24 71.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.478 ' HD2' HG22 ' A' ' 15' ' ' ILE . 2.4 mtt85 -79.22 -16.39 56.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.355 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.1 mttm 63.69 31.12 14.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 11.3 mm-40 -93.19 -69.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 1.0 OUTLIER 164.24 132.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 22' ' ' LYS . 33.5 mt-10 -39.55 159.53 0.11 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.49 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.1 Cg_endo -75.04 147.7 34.12 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.538 1.809 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.27 105.22 15.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.62 ' OH ' ' HB2' ' A' ' 66' ' ' ALA . 60.5 m-85 -88.14 137.45 32.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -136.3 132.34 49.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.525 HD11 ' HD2' ' A' ' 58' ' ' LYS . 18.4 tp -79.1 123.19 27.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.457 HD12 HG12 ' A' ' 41' ' ' VAL . 13.1 mt -80.82 -61.6 1.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.232 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 t -168.74 175.91 5.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.01 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 31' ' ' GLU . 43.7 m-85 -128.82 139.32 52.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.457 HG12 HD12 ' A' ' 29' ' ' LEU . 10.3 t -100.17 136.07 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.41 149.55 52.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.421 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 8.8 tt0 -124.6 152.36 43.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 1.017 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 12.7 p -138.15 132.1 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.804 ' HG3' HG23 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -121.93 118.39 28.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.49 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.3 t -127.37 110.12 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.43 -104.94 0.62 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -117.06 24.71 11.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 0.787 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -126.36 154.7 43.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.804 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -139.41 152.75 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 1.017 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -148.8 169.02 21.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.9 p -136.53 156.18 48.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.413 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -143.19 154.29 25.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 111.044 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 73.5 p -147.01 145.92 29.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 0.807 . . . . 0.0 110.418 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -162.56 -166.69 21.78 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.526 1.142 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -24.12 13.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 16.3 p30 -140.15 168.07 20.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.525 ' HD2' HD11 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -57.11 -50.2 73.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.435 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -40.88 -76.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.473 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 51.4 mt -45.11 -50.13 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -45.1 -33.67 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.562 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -75.14 -44.33 47.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.418 ' CA ' ' HG2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -61.16 -41.05 96.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -63.68 -31.27 72.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -61.86 -56.68 16.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.658 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -56.61 -40.06 74.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.597 ' HG2' HD12 ' A' ' 71' ' ' LEU . 15.6 tt0 -54.21 -55.3 29.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.32 -46.55 72.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.581 ' HG2' HD11 ' A' ' 12' ' ' LEU . 37.8 tpp -55.52 -46.53 77.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 66' ' ' ALA . 1.1 mt -71.42 -28.74 64.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.597 HD12 ' HG2' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -73.76 -40.58 63.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.44 -38.76 65.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.248 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.583 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 2.8 mp -60.77 -45.47 94.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 117.5 30.8 1.78 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.583 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 77.8 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.742 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.617 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.3 Cg_endo -74.98 -30.94 6.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.459 1.768 . . . . 0.0 111.022 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 12' ' ' LEU . 41.3 mt -66.9 -73.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -38.67 -46.86 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.968 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -58.06 -47.25 83.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.539 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.0 OUTLIER -65.59 -49.84 67.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.084 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.31 -45.07 80.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -59.92 -29.53 68.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.546 HD12 ' CD2' ' A' ' 70' ' ' LEU . 39.8 mt -77.77 -36.1 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 18.1 mm100 -68.39 -34.59 76.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 12.9 pt20 -84.45 -45.48 12.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.479 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -60.07 -31.89 70.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.509 ' HD2' HG22 ' A' ' 15' ' ' ILE . 3.9 mtt-85 -78.9 -18.78 53.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.9 mttm 66.22 34.9 6.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 5.9 mm-40 -101.79 -72.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER 169.54 133.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.409 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 0.7 OUTLIER -42.0 160.79 0.17 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.487 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.5 Cg_endo -74.95 151.97 40.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.83 104.92 12.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.36 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.556 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 76.5 m-85 -87.97 137.85 31.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -133.58 126.75 52.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.61 HD23 ' HG3' ' A' ' 58' ' ' LYS . 2.4 tm? -77.23 113.76 15.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.737 HD12 HG12 ' A' ' 41' ' ' VAL . 18.5 mt -70.9 -61.04 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.3 -165.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.55 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.55 ' CD2' ' HB3' ' A' ' 31' ' ' GLU . 12.6 m-85 -105.34 127.11 52.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.737 HG12 HD12 ' A' ' 29' ' ' LEU . 29.8 t -93.23 121.54 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.425 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -119.22 146.33 45.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 111.014 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 9.5 tt0 -121.64 153.93 37.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.964 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 13.0 p -139.56 132.78 36.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.758 ' HG3' HG23 ' A' ' 50' ' ' VAL . 7.8 tttt -120.35 121.34 38.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.503 HG21 HD21 ' A' ' 12' ' ' LEU . 2.5 t -130.23 109.81 18.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.04 -107.69 1.17 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.426 1.079 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -113.98 26.69 10.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.282 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -129.72 157.44 42.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.758 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -141.56 154.68 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.964 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -150.28 172.51 15.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.4 p -140.66 158.26 44.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.423 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -146.63 145.86 15.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.2 p -132.21 153.22 50.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.777 . . . . 0.0 110.402 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -171.31 -168.08 32.46 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.448 1.092 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -25.76 11.49 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 16.9 p30 -139.84 168.47 19.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.61 ' HG3' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -57.06 -51.19 70.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 62' ' ' LYS . 9.6 mtmt -40.13 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.473 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 45.2 mt -44.14 -55.11 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -43.25 -33.41 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.571 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -71.04 -47.09 60.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -58.21 -44.97 88.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -61.33 -29.38 69.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.357 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -64.07 -54.71 29.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.617 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -57.07 -41.43 78.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -51.21 -60.01 3.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.42 -50.26 52.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.539 ' HG2' HD11 ' A' ' 12' ' ' LEU . 34.9 tpp -50.95 -49.15 60.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.546 ' CD2' HD12 ' A' ' 15' ' ' ILE . 5.0 mt -63.49 -38.74 92.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -40.81 97.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.243 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -39.53 64.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.561 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -59.21 -45.85 89.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.3 34.45 1.02 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 75.2 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.505 ' O ' HD11 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -74.93 -31.18 6.55 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.446 1.761 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.657 HD11 ' HA ' ' A' ' 63' ' ' LYS . 10.7 mm -63.28 -68.36 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.12 -54.47 6.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.99 -45.05 4.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.77 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.2 OUTLIER -68.77 -47.97 64.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.77 -40.37 75.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -64.83 -26.31 68.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.539 HD12 ' CD2' ' A' ' 70' ' ' LEU . 56.8 mt -82.32 -33.19 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.471 ' NE2' HG13 ' A' ' 46' ' ' VAL . 16.0 mm100 -70.86 -27.8 64.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.474 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 13.8 pt20 -89.35 -44.74 9.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.474 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -62.27 -29.47 70.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.478 ' HD2' HG22 ' A' ' 15' ' ' ILE . 4.3 mtt-85 -81.59 -19.07 42.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.4 mttt 66.15 27.72 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 6.6 mm-40 -93.1 -74.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 170.21 135.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.445 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -41.63 159.79 0.17 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.484 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -74.98 147.14 33.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.522 1.801 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.12 104.33 13.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.597 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 85.6 m-85 -87.8 135.34 33.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mp -130.23 133.87 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.574 ' C ' HD13 ' A' ' 28' ' ' LEU . 2.8 tm? -82.04 111.73 18.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.753 HD12 HG12 ' A' ' 41' ' ' VAL . 17.2 mt -68.03 -62.36 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.98 -176.58 2.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 2.1 pm0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CD2' ' HD2' ' A' ' 58' ' ' LYS . 54.0 m-85 -124.97 151.72 45.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.753 HG12 HD12 ' A' ' 29' ' ' LEU . 25.3 t -111.42 126.2 68.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.464 ' SD ' HD23 ' A' ' 28' ' ' LEU . 2.3 tpt -122.89 145.97 47.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.439 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 9.8 tt0 -124.01 153.68 40.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.992 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 10.4 p -138.47 133.21 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.811 ' HG3' HG23 ' A' ' 50' ' ' VAL . 2.1 ttmt -122.39 119.85 32.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.3 t -130.74 109.98 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.76 -108.96 1.76 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.497 1.123 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -112.83 24.47 12.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.95 155.32 43.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.811 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -141.78 154.0 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.992 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -149.73 172.87 14.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.8 p -143.47 160.03 41.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 0.0 110.387 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.436 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -148.96 152.74 24.72 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.3 p -138.62 150.17 45.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 0.777 . . . . 0.0 110.34 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.09 -173.19 37.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.635 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.96 -22.47 14.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -141.96 154.23 44.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.696 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -44.08 -52.73 6.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.91 -76.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.635 HD12 ' HG2' ' A' ' 56' ' ' PRO . 44.9 mt -43.54 -43.77 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -50.21 -55.92 13.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.597 ' HG2' ' CE1' ' A' ' 26' ' ' TYR . 3.1 ttmm -56.57 -47.39 79.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.657 ' HA ' HD11 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -52.88 -43.12 65.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -69.71 -27.72 65.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -66.46 -54.1 27.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.362 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.426 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -61.49 -41.29 97.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.428 ' O ' HD12 ' A' ' 71' ' ' LEU . 25.0 tt0 -52.42 -50.99 61.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.78 98.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.77 ' HG2' HD11 ' A' ' 12' ' ' LEU . 27.5 tpp -58.59 -41.46 85.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.539 ' CD2' HD12 ' A' ' 15' ' ' ILE . 1.9 mt -72.35 -27.77 62.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.428 HD12 ' O ' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -72.89 -40.39 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -41.63 64.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.573 ' HB3' ' CD2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -57.64 -47.48 82.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.358 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.54 34.71 0.91 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.128 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.573 ' CD2' ' HB3' ' A' ' 73' ' ' LEU . 77.4 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.753 . . . . 0.0 110.978 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.537 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.3 Cg_endo -74.98 -33.47 4.59 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.475 ' CD1' ' HD2' ' A' ' 62' ' ' LYS . 33.6 mt -68.54 -73.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.33 -45.93 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.4 ' NH2' ' O ' ' A' ' 75' ' ' TYR . 13.2 ttt180 -57.88 -44.0 86.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.669 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.1 OUTLIER -70.03 -48.76 56.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.01 -46.73 75.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -58.74 -29.2 66.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.518 HD12 ' CD2' ' A' ' 70' ' ' LEU . 53.7 mt -77.3 -37.09 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.457 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 19.3 mm100 -67.5 -35.87 79.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 1.6 pt20 -82.22 -45.28 15.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.479 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -60.9 -31.81 71.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.429 ' HD2' HG22 ' A' ' 15' ' ' ILE . 3.4 mtt-85 -78.48 -15.24 58.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 mttt 63.56 29.62 15.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 6.1 mm-40 -95.99 -71.4 0.67 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 4.4 tttp 166.19 132.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.421 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 2.8 mt-10 -39.84 160.53 0.11 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.472 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -75.0 150.91 38.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.769 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.68 105.39 14.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 63.0 m-85 -88.42 136.13 33.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -135.43 129.29 49.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.739 HD23 ' HG3' ' A' ' 58' ' ' LYS . 2.3 tm? -77.08 111.76 13.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.668 HD12 ' CG1' ' A' ' 41' ' ' VAL . 8.6 mt -65.42 -64.84 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.3 -168.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.993 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.418 ' OE1' ' CE2' ' A' ' 40' ' ' PHE . 11.3 mt-10 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.338 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 57' ' ' ASN . 24.7 m-85 -110.91 126.44 54.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.668 ' CG1' HD12 ' A' ' 29' ' ' LEU . 22.0 t -91.62 123.35 43.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.422 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -119.66 146.83 45.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.476 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 7.5 tt0 -121.72 151.35 40.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.698 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 12.8 p -139.05 130.73 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.836 ' HG3' HG23 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -117.55 118.49 32.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.499 HG21 HD21 ' A' ' 12' ' ' LEU . 2.6 t -125.09 110.01 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.46 -107.32 1.08 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -114.1 25.86 10.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -129.35 157.95 40.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.336 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.836 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -143.1 151.22 17.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.698 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -148.15 170.05 18.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.1 p -133.85 157.11 46.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.341 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.9 140.94 9.52 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.477 1.11 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.5 p -131.0 161.3 32.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.73 -158.53 21.43 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.594 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -75.03 -36.98 2.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.772 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.469 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 0.4 OUTLIER -135.45 176.2 8.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.739 ' HG3' HD23 ' A' ' 28' ' ' LEU . 2.1 ttmm -60.19 -51.93 67.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -36.97 -78.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.594 HD12 ' HG2' ' A' ' 56' ' ' PRO . 64.9 mt -46.5 -54.27 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.72 -32.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.564 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -74.43 -46.98 36.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -56.84 -42.87 80.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -63.86 -31.84 73.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -59.02 -48.91 79.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.584 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -65.42 -42.32 92.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.544 ' HG2' HD12 ' A' ' 71' ' ' LEU . 25.9 tt0 -55.15 -51.29 66.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.26 -40.21 81.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.669 ' HG2' HD11 ' A' ' 12' ' ' LEU . 36.9 tpp -62.24 -52.91 61.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.518 ' CD2' HD12 ' A' ' 15' ' ' ILE . 1.8 mt -58.68 -38.01 77.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.544 HD12 ' HG2' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -68.78 -39.96 79.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.54 ' OE1' ' HB2' ' A' ' 51' ' ' ALA . 1.4 pt20 -71.59 -28.13 63.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.33 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.4 mt -76.59 -27.29 55.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.03 35.41 5.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.4 ' O ' ' NH2' ' A' ' 11' ' ' ARG . 5.7 m-85 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.492 ' O ' HD11 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -74.94 -29.91 7.82 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.716 HD13 ' HE3' ' A' ' 62' ' ' LYS . 43.1 mt -68.83 -74.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 t -40.95 -52.57 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -50.19 -40.28 46.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -71.15 -48.3 52.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.24 -44.72 84.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -59.66 -30.06 68.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.539 HD12 ' CD2' ' A' ' 70' ' ' LEU . 56.7 mt -76.99 -37.03 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.456 ' NE2' HG13 ' A' ' 46' ' ' VAL . 18.1 mm100 -66.35 -36.11 82.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.473 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 2.4 pt20 -82.86 -45.4 14.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.473 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -60.15 -31.54 70.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.446 ' HD2' HG22 ' A' ' 15' ' ' ILE . 12.1 mtt180 -79.52 -18.53 51.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mttm 65.81 33.52 8.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 28.6 mm-40 -100.03 -72.41 0.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 169.84 133.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -42.56 159.64 0.2 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.464 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.1 Cg_endo -75.03 148.45 35.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.452 1.764 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.07 102.11 11.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.611 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 58.7 m-85 -88.85 134.64 33.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 28' ' ' LEU . 2.3 mp -132.35 167.34 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.566 ' C ' HD13 ' A' ' 28' ' ' LEU . 2.3 tm? -110.95 112.04 23.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.2 mt -69.98 -61.99 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -168.1 -172.39 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.001 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.534 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 13.2 pt-20 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.534 ' CD1' ' HB3' ' A' ' 31' ' ' GLU . 18.7 m-85 -122.04 130.09 52.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.421 ' O ' HD22 ' A' ' 28' ' ' LEU . 6.4 t -93.79 128.91 44.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.425 ' SD ' HD23 ' A' ' 28' ' ' LEU . 2.4 tpt -125.64 139.91 53.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -113.7 155.52 25.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.694 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 7.0 p -141.94 129.43 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.782 ' HG3' HG23 ' A' ' 50' ' ' VAL . 4.2 ttmt -116.89 117.44 29.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.472 ' HB ' ' HE3' ' A' ' 69' ' ' MET . 2.5 t -123.82 110.28 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.01 -107.88 1.23 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -113.41 26.62 10.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -130.06 157.46 42.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.782 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -142.57 151.17 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.694 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -148.62 168.77 21.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.2 p -138.86 158.37 44.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.423 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -152.03 150.87 22.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.7 p -130.03 164.64 23.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 110.429 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -179.06 -179.78 48.77 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HG2' ' CD1' ' A' ' 60' ' ' ILE . 18.2 Cg_endo -74.98 -10.49 21.28 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -154.17 151.73 29.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.464 ' HD2' ' CD1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -45.33 -45.5 12.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.84 -70.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.412 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 59.1 mt -51.76 -45.96 38.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -47.26 -59.9 2.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.716 ' HE3' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -50.17 -53.11 30.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.523 ' HG3' HD11 ' A' ' 9' ' ' ILE . 1.6 mtmt -50.07 -45.58 52.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -61.85 -32.87 73.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -64.81 -49.06 72.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.511 ' HB2' ' OH ' ' A' ' 26' ' ' TYR . . . -63.74 -41.86 97.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.544 ' HG2' HD12 ' A' ' 71' ' ' LEU . 17.6 tt0 -57.64 -48.74 78.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.72 -42.89 89.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.472 ' HE3' ' HB ' ' A' ' 46' ' ' VAL . 39.8 tpp -59.66 -56.14 25.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.539 ' CD2' HD12 ' A' ' 15' ' ' ILE . 4.0 mt -53.45 -42.49 67.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.544 HD12 ' HG2' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -66.28 -39.32 89.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.581 ' OE1' ' HB2' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -72.33 -25.44 61.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.6 mt -77.17 -29.93 54.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.64 35.55 4.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.77 . . . . 0.0 110.953 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.478 ' O ' HD11 ' A' ' 70' ' ' LEU . 18.4 Cg_endo -74.96 -32.12 5.7 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.526 1.803 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.681 HD11 ' HA ' ' A' ' 63' ' ' LYS . 14.9 mm -63.34 -67.94 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.49 -55.98 4.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.004 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.36 -47.65 6.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.739 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.1 OUTLIER -66.68 -49.53 65.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.44 -43.97 72.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -62.54 -27.83 69.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.549 HD12 ' CD2' ' A' ' 70' ' ' LEU . 38.3 mt -80.45 -32.48 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.598 ' NE2' HG13 ' A' ' 46' ' ' VAL . 14.2 mm100 -71.57 -31.04 66.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.463 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 12.6 pt20 -85.83 -44.1 12.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.463 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -63.4 -32.12 73.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.538 ' HD2' HG22 ' A' ' 15' ' ' ILE . 11.6 mtt180 -77.84 -19.04 55.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.5 mttt 66.94 25.28 9.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 47.9 mm-40 -91.31 -74.66 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 169.48 134.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.44 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 3.6 mt-10 -39.94 160.23 0.11 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.486 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -75.0 145.44 31.45 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.14 101.0 10.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.652 ' CD1' ' CG ' ' A' ' 62' ' ' LYS . 73.6 m-85 -88.87 129.34 35.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 28' ' ' LEU . 2.4 mp -127.04 167.7 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.482 HD13 ' N ' ' A' ' 30' ' ' SER . 2.5 tm? -109.27 110.67 21.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.536 ' HB2' HG12 ' A' ' 41' ' ' VAL . 6.5 mt -70.76 -52.08 23.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.482 ' N ' HD13 ' A' ' 28' ' ' LEU . 0.4 OUTLIER 176.61 -170.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.443 ' OE1' HD11 ' A' ' 28' ' ' LEU . 3.9 pm0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 4.7 tm-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -111.01 126.21 54.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.536 HG12 ' HB2' ' A' ' 29' ' ' LEU . 3.2 t -88.68 124.94 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.658 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 4.4 tpt -124.78 151.61 44.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.474 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 10.1 tt0 -127.07 158.2 37.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.933 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 14.2 p -142.74 130.33 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.639 ' HG3' HG23 ' A' ' 50' ' ' VAL . 1.8 ttmt -119.23 118.54 31.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.598 HG13 ' NE2' ' A' ' 16' ' ' GLN . 2.1 t -129.88 109.92 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.87 -111.89 3.39 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -109.61 24.86 12.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 0.792 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -127.96 155.02 44.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.639 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -142.25 154.14 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.933 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -150.87 174.02 13.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 p -144.45 157.69 44.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.453 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.416 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -141.81 149.9 21.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.539 1.149 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.8 p -136.93 135.08 37.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 0.732 . . . . 0.0 110.38 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 39' ' ' GLU . . . -158.95 -175.64 30.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -21.95 15.4 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 5.9 p-10 -141.09 142.93 34.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.595 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 12.0 ttmt -39.66 -43.86 1.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.25 -65.07 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 77.2 mt -58.46 -35.75 55.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.658 ' HB1' ' HB2' ' A' ' 42' ' ' MET . . . -52.94 -55.48 23.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.652 ' CG ' ' CD1' ' A' ' 26' ' ' TYR . 5.0 ttmm -57.94 -48.84 78.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.681 ' HA ' HD11 ' A' ' 9' ' ' ILE . 1.1 mtmt -52.58 -50.68 62.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -61.04 -27.69 68.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -69.81 -55.55 9.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.459 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -58.3 -41.35 84.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.528 ' HA ' HD12 ' A' ' 70' ' ' LEU . 20.2 tt0 -55.85 -50.55 70.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.9 80.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.739 ' HG2' HD11 ' A' ' 12' ' ' LEU . 25.3 tpp -65.6 -39.55 91.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.549 ' CD2' HD12 ' A' ' 15' ' ' ILE . 1.7 mt -73.09 -25.1 60.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -73.56 -39.99 64.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -36.59 75.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.553 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 2.4 mp -62.63 -48.65 78.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.97 33.75 1.04 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 76.8 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.595 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.4 Cg_endo -74.99 -31.97 5.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.448 1.762 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.421 HD13 ' HE3' ' A' ' 62' ' ' LYS . 40.6 mt -68.95 -74.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 t -38.98 -50.95 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.982 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.9 ttt85 -53.47 -48.55 68.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.61 HD21 HG21 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -62.4 -44.14 97.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.53 98.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -59.63 -31.29 69.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.529 ' CD1' ' CD2' ' A' ' 70' ' ' LEU . 24.9 mt -76.46 -39.47 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.377 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.962 ' NE2' HG13 ' A' ' 46' ' ' VAL . 3.8 mm-40 -64.76 -36.77 85.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -81.17 -39.95 24.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.16 -26.79 64.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.437 ' HD2' HG22 ' A' ' 15' ' ' ILE . 68.5 mtt180 -79.92 -18.8 49.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 110.307 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mttt 68.07 23.44 8.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 6.7 mm-40 -90.23 -78.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.421 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 0.0 OUTLIER 174.84 131.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 22' ' ' LYS . 1.8 mt-10 -38.93 158.36 0.11 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.49 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -74.98 147.09 33.53 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.545 1.813 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -109.45 105.41 14.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.579 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 56.2 m-85 -88.0 135.56 33.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -134.51 134.19 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.612 HD13 ' HE2' ' A' ' 58' ' ' LYS . 12.1 tp -83.74 113.52 20.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.656 HD12 ' CG1' ' A' ' 41' ' ' VAL . 16.2 mt -68.96 -62.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.9 t -169.4 -178.51 3.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 2.2 pm0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -129.16 124.5 34.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.656 ' CG1' HD12 ' A' ' 29' ' ' LEU . 40.6 t -88.99 130.87 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.425 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -127.1 149.53 49.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 111.024 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 8.3 tt0 -126.57 152.29 46.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.222 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.818 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 13.1 p -139.53 130.05 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.706 ' HG3' HG23 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -115.87 118.11 32.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.962 HG13 ' NE2' ' A' ' 16' ' ' GLN . 20.4 t -126.5 109.99 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.34 -109.54 1.99 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -112.31 24.94 12.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -128.74 157.14 42.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.706 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -141.89 151.57 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.818 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -146.17 169.39 18.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 42' ' ' MET . 1.7 p -137.19 154.71 50.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.431 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -140.83 151.45 22.44 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 34.6 p -137.3 154.52 50.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 0.0 110.442 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.67 -172.32 42.89 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.11 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -30.57 7.0 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.484 1.781 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.09 161.38 34.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.348 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.612 ' HE2' HD13 ' A' ' 28' ' ' LEU . 8.4 ttmt -51.74 -48.38 63.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.5 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.3 mt -47.56 -50.18 8.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.91 -41.07 23.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.579 ' HD3' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.32 -50.26 41.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.37 -43.23 61.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -65.79 -33.74 76.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -60.26 -49.23 78.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.595 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -62.72 -41.47 99.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.445 ' HG2' HD12 ' A' ' 71' ' ' LEU . 22.0 tt0 -53.44 -56.87 13.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.343 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.69 -47.85 63.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.466 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 30.8 tpp -54.16 -52.43 61.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.529 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 2.4 mt -62.02 -35.51 78.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.445 HD12 ' HG2' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -65.67 -38.38 89.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -38.61 62.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.14 -35.25 78.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.28 33.98 3.27 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.961 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -35.21 3.25 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 110.956 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.751 HD13 ' HB2' ' A' ' 66' ' ' ALA . 39.3 mm -62.55 -68.99 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.3 -51.15 11.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -49.02 -48.7 43.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.728 HD21 HG21 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -63.2 -42.52 99.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.71 97.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -62.1 -30.59 71.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.581 HG22 ' HD2' ' A' ' 19' ' ' ARG . 33.0 mt -76.05 -38.69 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.926 ' NE2' HG13 ' A' ' 46' ' ' VAL . 4.3 mm-40 -66.55 -35.57 80.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.78 -38.87 22.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.52 -26.81 63.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.581 ' HD2' HG22 ' A' ' 15' ' ' ILE . 49.4 mtt180 -80.54 -18.15 49.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 10.7 mttt 69.55 18.8 7.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 22.3 mm-40 -85.07 -80.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 1.3 tptt 176.88 132.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -39.13 157.5 0.12 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.502 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -75.01 146.75 32.98 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -108.34 105.65 15.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.569 ' OH ' HG23 ' A' ' 9' ' ' ILE . 84.9 m-85 -88.34 130.73 35.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 mp -128.34 129.52 69.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.462 ' C ' HD13 ' A' ' 28' ' ' LEU . 2.9 tm? -78.11 115.07 17.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.7 HD12 HG12 ' A' ' 41' ' ' VAL . 13.4 mt -72.27 -63.42 1.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 96.1 p -169.41 -175.39 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.602 ' OE1' ' CE2' ' A' ' 40' ' ' PHE . 43.8 mt-10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.602 ' CE2' ' OE1' ' A' ' 31' ' ' GLU . 6.9 m-85 -101.83 133.07 47.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.7 HG12 HD12 ' A' ' 29' ' ' LEU . 21.8 t -98.53 119.03 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.427 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -116.81 144.35 44.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.454 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 7.4 tt0 -120.2 149.92 41.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.913 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 7.8 p -136.31 128.77 45.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.694 ' HG3' HG23 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -115.73 117.03 29.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.926 HG13 ' NE2' ' A' ' 16' ' ' GLN . 12.3 t -125.85 109.95 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.76 -110.89 2.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.9 25.84 11.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -130.22 157.54 42.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.694 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -141.23 153.68 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.913 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -147.9 169.43 19.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.3 p -135.29 158.1 45.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.426 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -145.93 142.16 10.35 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 40' ' ' PHE . 72.1 p -132.03 152.59 51.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 0.783 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -173.24 -170.08 36.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.593 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -75.01 -18.48 18.68 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.473 1.775 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 14.7 p30 -149.55 158.81 44.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -46.66 -56.47 6.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' LYS . 11.8 mtmt -37.69 -76.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.593 HD12 ' HG2' ' A' ' 56' ' ' PRO . 96.7 mt -44.2 -49.76 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -48.41 -43.21 33.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.634 ' C ' HD11 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -65.38 -46.83 78.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.35 -42.34 73.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -71.37 -24.24 62.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -68.05 -50.49 54.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.751 ' HB2' HD13 ' A' ' 9' ' ' ILE . . . -61.31 -39.09 89.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.78 ' HA ' HD12 ' A' ' 70' ' ' LEU . 19.8 tt0 -56.25 -65.08 0.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.86 -49.81 5.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.477 ' HG2' HD11 ' A' ' 12' ' ' LEU . 18.4 tpp -50.95 -51.25 54.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.78 HD12 ' HA ' ' A' ' 67' ' ' GLU . 1.4 mt -59.56 -50.09 75.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -51.35 -42.79 61.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -38.16 78.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.55 ' HB3' ' CE1' ' A' ' 75' ' ' TYR . 90.2 mt -68.42 -22.78 64.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.58 41.4 6.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.102 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.55 ' CE1' ' HB3' ' A' ' 73' ' ' LEU . 5.5 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.461 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.4 Cg_endo -74.98 -29.08 8.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.784 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.533 HD13 ' HE3' ' A' ' 62' ' ' LYS . 33.2 mt -67.09 -73.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.85 -50.32 10.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.83 ' HD3' HD22 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -51.39 -60.71 2.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.741 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.0 OUTLIER -52.88 -45.54 67.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 17' ' ' GLN . . . -60.11 -44.76 94.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -59.86 -31.41 69.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.521 HD12 ' CD2' ' A' ' 70' ' ' LEU . 58.9 mt -72.82 -39.0 58.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.479 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 17.9 mm100 -60.65 -28.65 68.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 13' ' ' ALA . 1.0 OUTLIER -89.35 -46.05 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.73 -29.09 62.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -84.71 -19.86 32.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 mttt 67.75 31.59 5.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.512 ' O ' ' CD ' ' A' ' 22' ' ' LYS . 6.0 mm-40 -96.36 -75.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.512 ' CD ' ' O ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER 173.07 135.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.448 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 1.6 mt-10 -43.7 160.38 0.22 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.472 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -74.98 147.14 33.61 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.534 1.807 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.26 104.76 14.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.564 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 82.2 m-85 -87.95 134.11 33.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.5 mp -132.22 127.26 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.455 ' CD2' ' HG3' ' A' ' 58' ' ' LYS . 1.7 tm? -76.98 114.13 15.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.485 HD12 HG12 ' A' ' 41' ' ' VAL . 12.4 mt -69.57 -59.77 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.09 -170.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.565 ' HG3' ' CE2' ' A' ' 40' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 8.6 tt0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 31' ' ' GLU . 12.5 m-85 -109.6 124.93 51.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.485 HG12 HD12 ' A' ' 29' ' ' LEU . 11.1 t -89.38 128.48 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.411 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -126.34 144.08 50.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.436 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 8.2 tt0 -120.07 151.81 38.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.956 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 11.1 p -137.9 131.14 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.689 ' HG3' HG23 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -119.57 117.48 28.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.6 t -126.01 110.28 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.55 -107.91 1.32 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -113.96 25.25 11.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -128.6 157.02 42.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.689 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -141.08 154.29 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.956 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -148.81 168.2 23.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.3 p -136.15 157.13 47.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.432 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.438 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -146.85 151.42 23.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 39.6 p -136.46 152.23 50.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 0.746 . . . . 0.0 110.385 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 39' ' ' GLU . . . -172.49 -175.94 40.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -13.17 21.54 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.471 ' ND2' HD12 ' A' ' 60' ' ' ILE . 19.3 p30 -150.04 167.72 25.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.455 ' HG3' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -56.83 -48.8 77.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.435 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -43.15 -76.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.471 HD12 ' ND2' ' A' ' 57' ' ' ASN . 55.6 mt -46.6 -50.91 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.87 -38.5 10.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.564 ' HD3' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -73.91 -45.48 50.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -46.24 70.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -63.46 -36.08 82.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.438 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -62.84 -47.44 83.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.519 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -62.07 -38.43 88.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.493 ' HA ' HD12 ' A' ' 70' ' ' LEU . 26.5 tt0 -59.12 -66.44 0.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.62 -49.83 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.741 ' HG2' HD11 ' A' ' 12' ' ' LEU . 29.4 tpp -50.54 -44.92 56.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.83 HD22 ' HD3' ' A' ' 11' ' ' ARG . 3.5 mt -71.33 -46.64 60.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -54.37 -45.34 72.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -44.85 77.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.569 ' HB3' ' CD1' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -52.9 -42.95 65.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.9 39.48 1.71 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.569 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 6.1 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 111.051 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.51 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.4 Cg_endo -74.96 -32.15 5.67 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.651 HD13 ' HE3' ' A' ' 62' ' ' LYS . 43.4 mt -66.97 -73.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -40.13 -56.14 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.869 ' CD ' HD22 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -45.6 -60.29 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.668 HD11 ' SD ' ' A' ' 69' ' ' MET . 0.2 OUTLIER -51.59 -43.51 62.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 10' ' ' SER . . . -58.71 -42.02 87.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -62.74 -27.65 69.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.503 HD12 ' CD2' ' A' ' 70' ' ' LEU . 97.3 mt -79.28 -35.63 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.612 ' NE2' HG13 ' A' ' 46' ' ' VAL . 14.9 mm100 -69.5 -29.45 67.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.449 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 12.0 pt20 -89.02 -43.03 11.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.449 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -63.33 -32.33 73.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.47 ' HD2' HG22 ' A' ' 15' ' ' ILE . 3.9 mtt-85 -77.37 -18.87 56.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.4 mttt 68.81 27.36 5.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 51.6 mm-40 -94.35 -75.6 0.51 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.257 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 167.98 135.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.439 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 2.6 mt-10 -39.39 159.47 0.11 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.486 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.1 Cg_endo -75.03 145.25 31.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.812 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.14 105.04 15.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.598 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 84.1 m-85 -88.01 138.93 31.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mp -135.45 132.46 51.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.669 HD12 ' SD ' ' A' ' 42' ' ' MET . 13.7 tp -79.95 119.56 22.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.609 HD12 HG12 ' A' ' 41' ' ' VAL . 15.0 mt -76.33 -58.1 3.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 m -171.43 -173.63 1.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.995 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.567 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 53.8 m-85 -101.42 125.43 48.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.092 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.609 HG12 HD12 ' A' ' 29' ' ' LEU . 14.4 t -90.77 128.84 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.669 ' SD ' HD12 ' A' ' 28' ' ' LEU . 2.5 tpt -125.21 147.61 48.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.445 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 10.1 tt0 -125.45 154.94 41.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.817 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 7.9 p -140.84 131.2 27.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.795 ' HG3' HG23 ' A' ' 50' ' ' VAL . 6.2 tttt -121.41 126.54 49.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.612 HG13 ' NE2' ' A' ' 16' ' ' GLN . 22.5 t -135.22 109.55 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.76 -96.26 0.18 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -123.8 0.51 8.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 0.738 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -100.88 156.75 17.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 110.246 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.795 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -144.47 153.96 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.817 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -150.21 171.14 17.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 p -140.46 160.13 40.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.432 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -148.65 146.96 17.03 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.6 p -136.92 148.2 46.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 110.389 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.13 -168.24 29.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.633 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.4 Cg_endo -75.02 -20.13 17.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.41 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -147.71 159.68 43.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.567 ' HG3' ' CD1' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -50.09 -51.59 41.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -40.34 -70.46 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.633 HD12 ' HG2' ' A' ' 56' ' ' PRO . 93.8 mt -52.91 -41.61 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -51.82 -58.39 6.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.651 ' HE3' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -53.64 -50.7 65.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HG3' HD11 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -48.51 -43.48 35.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -67.49 -33.54 75.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -60.54 -55.45 33.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.658 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -54.3 -41.43 68.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.624 ' HG2' HD12 ' A' ' 71' ' ' LEU . 12.1 tt0 -55.26 -62.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.424 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . . . -44.45 -47.17 9.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.668 ' SD ' HD11 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -56.12 -53.47 56.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 110.993 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.869 HD22 ' CD ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -64.87 -33.44 76.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.624 HD12 ' HG2' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -66.83 -38.66 86.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.41 -38.82 62.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 69.9 mt -64.45 -32.04 73.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.18 33.42 4.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.419 ' HB3' ' NH2' ' A' ' 11' ' ' ARG . 5.7 m-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.512 ' O ' ' HB1' ' A' ' 66' ' ' ALA . 18.3 Cg_endo -75.04 -25.71 11.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.451 1.764 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.681 HD11 ' HA ' ' A' ' 63' ' ' LYS . 14.4 mm -73.69 -67.66 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.31 -55.03 5.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.959 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -45.33 -40.81 8.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 66' ' ' ALA . 0.2 OUTLIER -73.49 -48.06 36.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.57 -42.71 75.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -62.29 -26.24 68.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.513 HG12 ' CE2' ' A' ' 75' ' ' TYR . 63.5 mt -82.84 -33.52 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.626 HE22 HG13 ' A' ' 46' ' ' VAL . 14.0 mm100 -69.69 -24.93 63.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.46 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -91.04 -43.56 9.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.46 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -64.28 -32.24 73.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.459 ' HD2' HG22 ' A' ' 15' ' ' ILE . 3.5 mtt-85 -78.94 -18.12 54.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 mttt 64.13 29.71 13.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 6.1 mm-40 -94.5 -71.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 165.24 137.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 22' ' ' LYS . 51.7 mt-10 -39.27 159.35 0.11 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.477 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.5 Cg_endo -74.96 144.23 30.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.55 102.15 13.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 109.27 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.651 ' CD1' ' CG ' ' A' ' 62' ' ' LYS . 60.1 m-85 -90.88 118.72 30.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.569 HG22 ' H ' ' A' ' 28' ' ' LEU . 2.4 mp -119.44 172.37 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.569 ' H ' HG22 ' A' ' 27' ' ' ILE . 13.6 tp -112.81 117.38 32.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.463 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 10.3 mt -73.99 -56.59 4.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -171.76 -177.91 2.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 57' ' ' ASN . 32.3 m-85 -113.5 122.43 47.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.651 ' HA ' HG22 ' A' ' 54' ' ' THR . 7.2 t -90.39 131.67 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.446 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 4.8 tpt -129.63 138.55 51.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.432 ' HG3' ' CG2' ' A' ' 52' ' ' THR . 9.5 tt0 -110.47 155.12 22.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.248 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 1.017 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 13.5 p -137.54 125.71 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.361 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.83 ' HG3' HG23 ' A' ' 50' ' ' VAL . 10.5 ttmt -116.89 116.02 26.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.626 HG13 HE22 ' A' ' 16' ' ' GLN . 2.1 t -128.06 110.04 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.58 -113.55 4.7 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -107.92 24.54 12.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -127.83 153.77 46.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.83 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -140.96 153.76 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 1.017 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -150.57 173.05 14.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.432 ' CG2' ' HG3' ' A' ' 43' ' ' GLN . 1.4 p -147.57 155.89 42.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.41 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.422 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -152.92 148.67 19.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.651 HG22 ' HA ' ' A' ' 41' ' ' VAL . 72.4 p -137.24 149.02 46.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.371 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -158.96 -161.41 11.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.562 1.163 . . . . 0.0 111.049 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.665 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -75.04 -16.03 20.34 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.478 ' ND2' ' N ' ' A' ' 57' ' ' ASN . 0.3 OUTLIER -156.33 157.87 36.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 10.1 ttmt -49.84 -50.07 46.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.85 -63.92 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.665 HD12 ' HG2' ' A' ' 56' ' ' PRO . 17.9 mt -60.47 -37.28 74.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -51.35 -56.28 13.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.651 ' CG ' ' CD1' ' A' ' 26' ' ' TYR . 4.3 ttmm -52.52 -41.25 63.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.681 ' HA ' HD11 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -61.72 -42.71 99.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -68.5 -24.64 64.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.422 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -74.75 -52.42 11.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.563 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -59.44 -34.33 72.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.721 ' HA ' HD12 ' A' ' 70' ' ' LEU . 24.7 tt0 -62.1 -62.79 1.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.237 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.87 -41.99 16.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.557 ' HG2' HD11 ' A' ' 12' ' ' LEU . 26.1 tpp -56.9 -48.75 77.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 67' ' ' GLU . 2.9 mt -59.65 -44.11 93.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -57.15 -40.47 77.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -37.45 68.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.77 -40.36 95.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.98 36.06 2.43 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.456 1.098 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.513 ' CE2' HG12 ' A' ' 15' ' ' ILE . 19.4 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.549 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.2 Cg_endo -75.05 -28.33 9.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.538 HD11 ' HA ' ' A' ' 63' ' ' LYS . 20.2 mm -65.12 -69.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.34 -54.82 15.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.011 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.2 ttt85 -44.07 -52.99 6.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -62.7 -43.0 99.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.37 -39.98 89.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -64.16 -28.87 70.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.252 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.578 HG22 ' HD2' ' A' ' 19' ' ' ARG . 50.2 mt -78.39 -36.35 20.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.872 ' NE2' HG13 ' A' ' 46' ' ' VAL . 3.8 mm-40 -66.36 -35.44 80.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.484 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 5.3 pt20 -79.43 -45.38 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.484 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -64.1 -30.41 71.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.578 ' HD2' HG22 ' A' ' 15' ' ' ILE . 31.3 mtt-85 -77.15 -18.45 57.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.25 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.7 mttt 66.19 30.13 9.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 8.0 mm-40 -96.21 -73.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 163.58 138.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 22' ' ' LYS . 5.5 mt-10 -37.89 155.72 0.1 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.463 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -75.01 143.91 29.58 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.99 105.75 17.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.578 ' CD1' ' HG3' ' A' ' 62' ' ' LYS . 85.5 m-85 -89.91 129.0 36.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 28' ' ' LEU . 2.5 mp -123.62 164.88 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.522 ' C ' HD13 ' A' ' 28' ' ' LEU . 2.5 tm? -108.5 110.79 22.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.566 HD12 ' CG1' ' A' ' 41' ' ' VAL . 9.5 mt -70.2 -59.75 2.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 t -170.41 -166.6 0.54 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 110.028 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.468 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 54' ' ' THR . 57.7 m-85 -127.2 129.79 48.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.566 ' CG1' HD12 ' A' ' 29' ' ' LEU . 20.0 t -91.23 126.75 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.0 tpt -127.53 129.88 48.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -102.51 155.14 18.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.518 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 9.1 p -141.46 127.59 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.796 ' HG3' HG23 ' A' ' 50' ' ' VAL . 2.0 ttmt -111.3 125.03 53.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.872 HG13 ' NE2' ' A' ' 16' ' ' GLN . 4.3 t -128.61 110.24 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.97 -101.85 0.3 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.474 1.108 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -120.18 24.65 10.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -127.93 162.0 27.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.265 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.796 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -145.2 150.42 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.518 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -146.47 166.58 25.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 p -133.97 152.4 51.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.408 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -149.53 151.09 23.25 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.513 HG22 ' HA ' ' A' ' 41' ' ' VAL . 22.3 p -134.32 159.49 40.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 110.369 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -167.94 -172.71 35.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.674 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -75.07 -9.51 20.7 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.541 1.811 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -159.81 152.38 21.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.322 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.676 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 10.6 mtpt -44.12 -51.49 7.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.41 -69.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.674 HD12 ' HG2' ' A' ' 56' ' ' PRO . 73.9 mt -54.48 -38.02 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -50.41 -56.88 9.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.578 ' HG3' ' CD1' ' A' ' 26' ' ' TYR . 5.0 ttmm -55.79 -34.56 65.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.538 ' HA ' HD11 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -64.25 -38.02 89.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -74.86 -26.34 59.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.408 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -64.9 -55.5 18.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.713 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -56.5 -46.56 80.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.702 ' HA ' HD12 ' A' ' 70' ' ' LEU . 22.7 tt0 -46.51 -64.42 0.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.67 -61.06 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.586 ' HG2' HD11 ' A' ' 12' ' ' LEU . 29.7 tpp -39.52 -53.15 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' A' ' 67' ' ' GLU . 3.2 mt -55.97 -48.86 75.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -59.52 -42.65 92.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.416 ' OE1' ' SD ' ' A' ' 69' ' ' MET . 0.7 OUTLIER -67.41 -30.78 70.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 69' ' ' MET . 62.1 mt -74.62 -34.05 62.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.41 40.17 2.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 0.0 110.999 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.631 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.2 Cg_endo -75.05 -28.85 8.73 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.467 1.772 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.599 HD11 ' HA ' ' A' ' 63' ' ' LYS . 18.7 mm -62.73 -66.24 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.65 -55.95 21.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -41.9 -37.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.682 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.0 OUTLIER -76.08 -49.39 17.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.43 -41.83 85.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -60.05 -30.34 69.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.294 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.46 ' CD1' HD23 ' A' ' 70' ' ' LEU . 59.4 mt -77.67 -38.33 25.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.482 ' CB ' ' HA ' ' A' ' 23' ' ' GLU . 19.2 mm100 -65.96 -38.99 90.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.427 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 11.8 pt20 -77.44 -41.81 38.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.427 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -66.42 -26.28 67.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -81.2 -20.65 40.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt 67.25 29.93 7.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 31.7 mm-40 -100.27 -77.25 0.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.357 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 1.5 tppt? 179.59 132.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.482 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 0.9 OUTLIER -46.08 162.48 0.24 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.492 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.2 Cg_endo -74.95 146.09 32.46 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.01 105.31 14.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.569 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 61.5 m-85 -87.42 135.11 33.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.15 . . . . 0.0 111.022 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -133.87 130.19 55.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.654 HD13 ' HG3' ' A' ' 58' ' ' LYS . 13.1 tp -78.54 117.43 19.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.7 HD12 HG12 ' A' ' 41' ' ' VAL . 14.3 mt -73.89 -62.49 1.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -166.42 -175.36 3.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.472 ' HG2' ' CD2' ' A' ' 40' ' ' PHE . 68.5 mt-10 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.472 ' CD2' ' HG2' ' A' ' 31' ' ' GLU . 24.2 m-85 -96.89 120.5 37.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.7 HG12 HD12 ' A' ' 29' ' ' LEU . 21.8 t -89.4 125.66 42.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.432 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -122.94 148.71 45.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 111.038 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.443 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 9.6 tt0 -124.49 152.71 43.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.924 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 12.7 p -139.2 127.27 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.701 ' HG3' HG23 ' A' ' 50' ' ' VAL . 10.4 ttmt -116.9 119.84 36.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.492 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.1 t -127.96 109.63 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.18 -103.12 0.3 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -118.2 28.05 8.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -128.62 153.8 46.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.268 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.701 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -140.29 146.48 24.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.924 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -145.24 169.42 18.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.0 p -135.79 155.88 49.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.376 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.438 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -142.58 146.41 17.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.135 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.7 p -132.1 160.0 37.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 176.58 -172.2 45.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.127 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.585 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -75.01 -29.08 8.58 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.52 1.8 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -137.61 147.53 45.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.654 ' HG3' HD13 ' A' ' 28' ' ' LEU . 5.6 ttmt -40.04 -48.62 2.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -41.28 -76.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.585 HD12 ' HG2' ' A' ' 56' ' ' PRO . 69.2 mt -46.86 -52.42 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.98 -37.29 8.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.569 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.13 -39.74 75.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.599 ' HA ' HD11 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -65.86 -39.69 90.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.444 ' ND2' HG22 ' A' ' 60' ' ' ILE . 20.6 m-80 -67.52 -26.95 66.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.438 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -65.43 -56.28 13.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.635 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -56.78 -46.69 81.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.528 ' O ' HD23 ' A' ' 71' ' ' LEU . 15.7 tt0 -42.25 -64.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.8 -54.92 23.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.682 ' HG2' HD11 ' A' ' 12' ' ' LEU . 24.2 tpp -44.21 -37.64 3.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 66' ' ' ALA . 1.3 mt -76.76 -52.94 8.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.528 HD23 ' O ' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -51.46 -46.05 62.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.423 ' HG2' ' N ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -67.12 -47.38 71.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.561 HD23 ' HE2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -47.72 -56.53 7.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.43 39.11 0.45 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.128 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.561 ' HE2' HD23 ' A' ' 73' ' ' LEU . 79.4 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.753 . . . . 0.0 111.044 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.698 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.4 Cg_endo -74.99 -33.16 4.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.594 HD13 ' HB2' ' A' ' 66' ' ' ALA . 40.4 mm -62.41 -70.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.93 -50.76 18.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.629 ' NE ' HD22 ' A' ' 70' ' ' LEU . 4.8 ttt180 -49.3 -50.85 37.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.717 HD12 ' HA ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -60.75 -45.01 95.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.1 -41.89 79.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -64.11 -27.52 69.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.337 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.5 HD12 ' CD2' ' A' ' 70' ' ' LEU . 94.8 mt -79.27 -33.87 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.586 ' NE2' HG13 ' A' ' 46' ' ' VAL . 15.9 mm100 -72.66 -31.11 64.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.446 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 1.9 pt20 -85.59 -42.88 13.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -64.05 -33.27 75.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -75.5 -18.85 59.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.2 mttt 67.82 27.77 7.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 25.9 mm-40 -94.88 -75.58 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 170.14 133.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.417 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 1.7 mp0 -39.22 158.83 0.11 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.472 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -75.0 145.42 31.41 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.491 1.785 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.4 103.77 15.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.488 ' CZ ' HD12 ' A' ' 9' ' ' ILE . 45.5 m-85 -89.46 135.43 33.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 28' ' ' LEU . 2.6 mp -133.76 167.58 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.604 HD23 ' HG3' ' A' ' 58' ' ' LYS . 2.6 tm? -109.1 111.91 23.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.647 HD12 HG12 ' A' ' 41' ' ' VAL . 10.2 mt -68.25 -63.22 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.16 -169.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.962 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.569 ' HG3' ' CE2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.278 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 28.5 tt0 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.569 ' CE2' ' HG3' ' A' ' 31' ' ' GLU . 5.9 m-85 -90.91 158.63 16.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.647 HG12 HD12 ' A' ' 29' ' ' LEU . 23.0 t -124.83 120.94 60.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.409 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -115.68 147.14 41.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 111.054 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.47 ' CD ' HD21 ' A' ' 29' ' ' LEU . 10.7 tt0 -122.22 154.9 36.9 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.783 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 10.9 p -140.38 130.44 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.755 ' HG3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -119.17 121.72 40.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.586 HG13 ' NE2' ' A' ' 16' ' ' GLN . 7.1 t -130.37 109.86 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.98 -106.41 0.89 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -114.95 25.02 11.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -126.7 155.68 42.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.755 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -144.25 149.43 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.783 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -146.41 168.98 19.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.491 ' CG2' HD11 ' A' ' 29' ' ' LEU . 1.3 p -141.47 159.16 42.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.426 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.418 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -147.89 156.48 26.95 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.5 p -135.82 159.73 40.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 0.789 . . . . 0.0 110.404 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 39' ' ' GLU . . . -177.05 -172.47 41.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.465 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -75.03 -21.86 15.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.798 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -142.85 161.89 36.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.604 ' HG3' HD23 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -52.18 -49.19 64.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -41.0 -76.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.465 HD12 ' HG2' ' A' ' 56' ' ' PRO . 54.2 mt -45.93 -50.49 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -47.18 -32.97 4.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.504 ' HD2' ' CD1' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -72.25 -48.77 40.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -41.23 79.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -61.64 -35.22 77.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -60.63 -49.76 76.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.818 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -58.1 -44.26 87.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.545 ' O ' HD23 ' A' ' 71' ' ' LEU . 8.3 tt0 -49.36 -66.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.65 -61.43 1.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.698 ' SD ' HD11 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -39.03 -52.13 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 110.996 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.818 HD12 ' O ' ' A' ' 66' ' ' ALA . 1.1 mt -64.29 -52.86 56.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 67' ' ' GLU . 0.5 OUTLIER -48.8 -45.67 40.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.453 ' CG ' ' N ' ' A' ' 73' ' ' LEU . 0.1 OUTLIER -68.91 -47.7 65.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.577 ' HB3' ' CD2' ' A' ' 75' ' ' TYR . 0.1 OUTLIER -45.45 -56.77 4.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.14 37.14 0.54 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.57 1.169 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.577 ' CD2' ' HB3' ' A' ' 73' ' ' LEU . 81.9 m-85 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 111.052 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 t 66.15 80.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 0.732 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.42 139.06 12.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.63 170.99 0.12 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m 59.22 165.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.937 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.8 m -62.34 129.79 42.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.96 170.57 20.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.646 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.4 Cg_endo -75.04 -32.52 5.27 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.437 1.756 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.661 HD11 ' HA ' ' A' ' 63' ' ' LYS . 10.5 mm -63.99 -67.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 t -49.74 -53.09 27.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.951 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -46.77 -38.26 9.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.693 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.0 OUTLIER -75.42 -47.65 26.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.17 -42.95 82.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -61.4 -28.77 69.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.527 HD12 ' CD2' ' A' ' 70' ' ' LEU . 53.2 mt -79.21 -35.86 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 17.9 mm100 -68.64 -33.52 74.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.44 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 11.7 pt20 -83.73 -42.68 16.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.44 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -64.31 -31.0 72.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.435 ' HD2' HG22 ' A' ' 15' ' ' ILE . 3.4 mtt-85 -77.39 -18.76 57.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 mttt 66.1 30.83 9.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.34 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 19.8 mm-40 -99.29 -73.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 170.36 136.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -42.03 160.58 0.17 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.478 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.2 Cg_endo -74.98 150.51 38.37 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.494 1.786 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.64 104.04 12.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 66.9 m-85 -88.15 133.97 33.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.458 HD13 HE21 ' A' ' 43' ' ' GLN . 1.6 mp -132.88 131.82 59.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.539 ' C ' HD13 ' A' ' 28' ' ' LEU . 2.5 tm? -80.5 116.31 20.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.66 HD12 HG12 ' A' ' 41' ' ' VAL . 14.0 mt -73.33 -64.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.7 -170.81 2.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.551 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -156.48 105.58 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.04 169.8 20.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 127.75 -171.03 19.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.6 mtt -47.22 156.9 0.55 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -39.05 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.79 -58.09 8.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -125.38 77.47 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.28 147.93 29.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -97.57 118.03 33.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.551 ' CD2' ' HB3' ' A' ' 31' ' ' GLU . 15.7 m-85 -103.06 128.91 49.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.66 HG12 HD12 ' A' ' 29' ' ' LEU . 21.7 t -93.9 120.65 43.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.405 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -116.69 147.94 41.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.991 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.458 HE21 HD13 ' A' ' 27' ' ' ILE . 8.5 tt0 -123.73 150.38 44.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.908 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 14.8 p -137.36 129.73 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.671 ' HG3' HG23 ' A' ' 50' ' ' VAL . 11.2 ttmt -117.38 116.93 28.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.506 ' HB ' ' HE3' ' A' ' 69' ' ' MET . 2.6 t -125.47 110.4 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.38 -109.04 1.72 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 111.05 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -113.05 25.49 11.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 0.773 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -129.37 157.05 43.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.671 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -140.87 153.4 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.908 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -148.13 169.26 20.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.1 p -132.09 157.3 44.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.423 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -143.83 131.11 4.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.1 p -124.08 137.79 54.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.388 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -156.51 -174.76 26.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.473 1.108 . . . . 0.0 110.969 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.405 ' HD2' ' CD1' ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.99 -15.58 20.69 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.491 1.785 . . . . 0.0 111.052 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -147.85 155.71 41.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.56 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -45.95 -53.09 10.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -40.26 -73.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.405 ' CD1' ' HD2' ' A' ' 56' ' ' PRO . 65.0 mt -46.16 -48.5 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -47.26 -32.63 4.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.573 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -78.84 -45.3 21.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.661 ' HA ' HD11 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -60.56 -38.51 84.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.34 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -72.03 -24.8 61.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -65.08 -57.0 9.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.646 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -57.57 -46.9 83.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -44.32 -52.66 7.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.44 -42.47 98.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.163 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.693 ' HG2' HD11 ' A' ' 12' ' ' LEU . 27.9 tpp -59.15 -38.18 79.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.527 ' CD2' HD12 ' A' ' 15' ' ' ILE . 6.6 mt -72.82 -39.04 66.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.93 -47.81 60.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.578 ' OE1' ' HB2' ' A' ' 51' ' ' ALA . 2.9 pt20 -57.99 -33.26 68.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.492 ' HA ' HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -72.13 -38.34 69.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.89 37.04 2.08 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.474 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 5.9 m-85 -104.47 -13.38 16.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 0.8 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -137.33 29.06 2.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.24 -47.4 10.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.65 -59.06 3.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.9 m -55.94 -51.09 68.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.01 -65.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 mt -50.46 -54.94 18.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -42.44 -50.06 5.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -60.54 -52.7 64.08 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.4 t -53.02 -37.49 61.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -174.76 156.89 23.7 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -62.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.8 m 42.86 81.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.7 p -84.71 98.09 10.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.427 1.079 . . . . 0.0 111.013 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t 64.82 121.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.43 98.31 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.974 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.06 -113.15 0.54 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.544 1.152 . . . . 0.0 110.975 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.07 -67.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.743 . . . . 0.0 110.027 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.6 p -73.66 130.4 39.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 109.98 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.82 170.33 43.43 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.561 1.163 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.654 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.2 Cg_endo -75.01 -33.29 4.68 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.49 HD11 ' HA ' ' A' ' 63' ' ' LYS . 38.0 mm -61.12 -66.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -60.66 2.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.026 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.6 ttt85 -39.02 -41.96 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.501 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.1 OUTLIER -72.13 -49.58 34.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.71 -46.31 77.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -58.21 -30.39 66.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.502 ' CD1' ' CD2' ' A' ' 70' ' ' LEU . 41.8 mt -77.23 -36.84 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 18.3 mm100 -67.59 -33.82 75.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 2.3 pt20 -85.34 -45.1 12.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.479 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -60.1 -32.65 71.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.482 HH12 HD22 ' A' ' 73' ' ' LEU . 15.9 mtt180 -79.54 -19.06 50.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.4 mttt 66.53 30.82 8.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 6.6 mm-40 -96.25 -73.03 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER 169.83 134.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.443 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 4.1 mt-10 -40.97 160.79 0.13 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.471 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -74.96 148.17 35.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.504 1.792 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.5 101.33 11.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.574 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 54.7 m-85 -88.62 131.51 34.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 28' ' ' LEU . 2.2 mp -127.85 168.24 21.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.5 ' C ' HD13 ' A' ' 28' ' ' LEU . 2.7 tm? -111.24 112.47 24.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.626 HD12 HG12 ' A' ' 41' ' ' VAL . 11.9 mt -69.96 -61.54 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.99 -171.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.578 ' HG3' ' CE2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -139.86 120.81 14.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.307 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.36 171.59 5.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 138.58 -113.3 0.94 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.457 ' CB ' ' HB2' ' A' ' 37' ' ' ARG . 3.5 mmt -82.05 163.89 50.98 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.474 0.749 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -39.54 1.16 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.471 1.774 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -102.08 -45.99 4.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.457 ' HB2' ' CB ' ' A' ' 34' ' ' MET . 1.5 mtt180 -60.74 -53.14 61.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 56.74 109.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.3 140.74 31.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.578 ' CE2' ' HG3' ' A' ' 31' ' ' GLU . 15.3 m-85 -108.51 139.65 42.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.626 HG12 HD12 ' A' ' 29' ' ' LEU . 17.0 t -103.35 120.09 52.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.417 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 3.8 tpt -119.07 142.74 47.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.975 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.414 ' CD ' HD21 ' A' ' 29' ' ' LEU . 11.0 tt0 -116.98 156.18 27.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.936 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 12.5 p -139.71 130.21 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.736 ' HG3' HG23 ' A' ' 50' ' ' VAL . 26.7 tttt -120.61 118.62 30.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.2 t -128.98 110.0 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.36 -110.57 2.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -110.98 24.53 12.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.783 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -127.4 155.42 43.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.736 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -142.01 154.18 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.936 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -151.26 172.63 15.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 p -142.38 160.02 41.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.428 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -151.91 146.92 16.12 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 40' ' ' PHE . 41.0 p -134.88 154.96 51.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 0.731 . . . . 0.0 110.393 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -171.89 -165.47 29.11 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.536 1.148 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.701 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.95 -27.21 10.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.453 1.765 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.481 ' OD1' HD12 ' A' ' 60' ' ' ILE . 5.0 p-10 -141.06 153.71 45.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.519 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 5.6 ttmt -48.06 -51.56 23.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' LYS . 6.9 mmtp -39.79 -62.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.701 HD12 ' HG2' ' A' ' 56' ' ' PRO . 68.3 mt -57.61 -43.74 83.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -49.0 -52.17 26.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.574 ' HG2' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -54.51 -43.92 72.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.49 ' HA ' HD11 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -59.76 -41.75 91.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -66.76 -27.17 67.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -63.11 -55.47 25.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.654 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -58.01 -47.3 83.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -46.12 -52.68 11.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.91 -39.55 94.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.501 ' HG2' HD11 ' A' ' 12' ' ' LEU . 32.5 tpp -63.1 -47.22 83.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.502 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 3.7 mt -64.28 -34.05 77.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.723 HD21 ' HB2' ' A' ' 80' ' ' SER . 0.3 OUTLIER -67.02 -38.34 85.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -36.65 63.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.482 HD22 HH12 ' A' ' 19' ' ' ARG . 59.4 mt -65.72 -28.6 69.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.32 33.78 5.56 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.441 1.088 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -106.16 -13.65 15.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -135.93 22.19 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.08 -53.07 7.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.338 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.4 m -44.77 -60.37 2.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -57.84 -53.95 52.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.723 ' HB2' HD21 ' A' ' 71' ' ' LEU . 43.5 t -44.33 -60.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.963 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 tp -44.91 -63.74 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.092 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -39.78 -60.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -43.26 -53.17 5.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.63 -50.08 66.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -153.64 152.68 24.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.46 1.1 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -47.84 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.54 1.81 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.8 m -134.4 145.29 48.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.051 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 93.2 p -128.96 95.37 4.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.977 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.79 80.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.995 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.83 86.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.022 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.4 116.4 0.49 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.66 165.44 21.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 0.791 . . . . 0.0 110.009 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.22 155.16 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.965 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.36 157.5 7.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.562 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.3 Cg_endo -74.99 -31.89 5.85 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.523 1.801 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.538 HD11 ' HA ' ' A' ' 63' ' ' LYS . 22.9 mm -65.12 -72.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.46 -54.91 2.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -47.8 -43.93 28.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.602 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.0 OUTLIER -67.56 -49.71 61.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.93 -42.44 80.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -61.79 -28.79 69.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.537 ' CD1' ' CD2' ' A' ' 70' ' ' LEU . 41.0 mt -78.73 -35.81 18.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.524 ' NE2' HG13 ' A' ' 46' ' ' VAL . 15.9 mm100 -67.07 -35.94 80.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.457 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 2.1 pt20 -82.06 -43.89 17.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.457 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -63.7 -29.78 70.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.092 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.518 ' HD2' HG22 ' A' ' 15' ' ' ILE . 9.3 mtt-85 -79.23 -19.74 49.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.0 mttt 68.32 25.05 7.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 59.4 mm-40 -92.32 -76.74 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 2.5 tptm 172.45 136.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -42.32 159.22 0.2 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.484 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -75.01 147.2 33.56 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.441 1.758 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.06 104.1 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.593 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 95.9 m-85 -87.87 138.83 31.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mp -134.32 131.0 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.462 ' C ' HD13 ' A' ' 28' ' ' LEU . 3.5 tm? -78.47 111.1 14.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.432 ' CD2' ' HB2' ' A' ' 43' ' ' GLN . 5.1 mt -68.5 -62.22 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.68 175.32 4.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -142.65 139.37 31.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER 179.14 -173.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.96 161.26 18.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.128 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.8 mtp -46.2 158.55 0.37 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -25.65 11.68 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.487 1.783 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -69.77 -38.11 76.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -143.34 75.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.415 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -54.26 161.93 1.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 110.302 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 32' ' ' ARG . 15.4 tt0 -135.87 122.21 20.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -117.81 122.96 44.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.591 ' HA ' HG22 ' A' ' 54' ' ' THR . 10.9 t -89.59 119.8 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.539 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 4.4 tpt -116.43 143.44 45.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 111.033 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.452 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 10.5 tt0 -119.19 153.42 34.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.907 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 15.0 p -138.85 132.52 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.698 ' HG3' HG23 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -122.41 119.98 32.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.247 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.524 HG13 ' NE2' ' A' ' 16' ' ' GLN . 2.3 t -129.19 110.14 19.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.73 -107.97 1.37 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.564 1.165 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.58 24.98 11.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.763 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.58 156.39 42.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.698 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -142.74 154.05 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.907 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -150.64 171.46 17.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 42' ' ' MET . 1.9 p -142.3 156.13 45.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.428 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -150.85 139.7 7.41 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.591 HG22 ' HA ' ' A' ' 41' ' ' VAL . 18.7 p -128.38 151.06 49.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 110.427 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -165.12 -166.09 23.5 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.736 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.98 -20.91 16.45 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.474 1.776 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -148.85 154.72 39.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.647 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -45.98 -52.73 11.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.415 ' NZ ' ' HD2' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -39.42 -68.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.736 HD12 ' HG2' ' A' ' 56' ' ' PRO . 71.0 mt -54.61 -38.77 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -51.79 -54.36 29.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.593 ' HG2' ' CE1' ' A' ' 26' ' ' TYR . 3.7 ttmm -56.97 -46.65 82.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.538 ' HA ' HD11 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -53.97 -41.0 67.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -74.3 -23.95 59.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -65.86 -51.87 55.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.562 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -60.9 -40.52 93.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.447 ' O ' HD12 ' A' ' 71' ' ' LEU . 18.8 tt0 -48.26 -54.62 13.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.41 -41.21 93.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.602 ' HG2' HD11 ' A' ' 12' ' ' LEU . 34.3 tpp -60.62 -41.76 95.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.537 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 3.3 mt -72.58 -30.68 64.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' A' ' 80' ' ' SER . 0.3 OUTLIER -70.05 -41.38 74.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -38.04 78.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.569 ' HB3' ' CD1' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -64.08 -33.27 75.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.31 36.05 3.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.569 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 7.8 m-85 -106.15 -13.78 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 0.796 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.09 22.98 2.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.93 -52.77 8.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.7 -61.8 0.89 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.5 m -56.99 -52.58 64.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.401 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.458 ' HB2' HD21 ' A' ' 71' ' ' LEU . 22.6 t -41.24 -64.36 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.011 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.35 -63.25 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -39.96 -61.64 0.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -40.5 -56.61 2.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.03 -49.98 65.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -147.46 97.44 0.18 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.542 1.151 . . . . 0.0 111.05 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -56.78 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.535 1.808 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.3 t 45.43 80.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.8 m -111.75 132.7 54.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 p -157.82 132.08 8.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.2 p -169.46 164.54 10.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.81 112.27 0.87 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.522 1.139 . . . . 0.0 111.043 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.48 163.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 110.02 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 p -39.84 138.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.976 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.17 165.7 38.96 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.445 1.091 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.515 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.2 Cg_endo -74.96 -33.09 4.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.52 1.8 . . . . 0.0 111.045 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.485 HD13 ' HE3' ' A' ' 62' ' ' LYS . 31.6 mt -67.6 -73.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.51 -50.92 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.968 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -53.02 -46.28 68.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.458 ' HA ' HD21 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -65.86 -49.78 66.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.22 -43.28 82.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -61.16 -28.9 69.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.552 HD12 ' CD2' ' A' ' 70' ' ' LEU . 47.1 mt -78.59 -35.96 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.526 ' NE2' HG13 ' A' ' 46' ' ' VAL . 15.8 mm100 -65.87 -32.14 73.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.42 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 2.4 pt20 -88.83 -42.09 12.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -61.34 -30.52 70.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.483 ' HD2' HG22 ' A' ' 15' ' ' ILE . 6.0 mtt-85 -84.38 -18.6 35.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 mttm 67.99 28.53 6.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 46.3 mm-40 -92.04 -74.36 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER 170.01 135.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.266 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.434 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 18.0 mt-10 -42.54 159.28 0.2 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.478 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -74.99 148.56 35.5 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.5 1.79 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.77 104.16 13.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.578 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 71.4 m-85 -88.05 135.21 33.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -132.49 131.59 60.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.501 HD13 ' HG3' ' A' ' 58' ' ' LYS . 12.1 tp -80.35 115.93 20.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.77 HD12 HG12 ' A' ' 41' ' ' VAL . 20.6 mt -71.01 -64.3 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.62 -164.55 0.66 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' OE1' ' N ' ' A' ' 32' ' ' ARG . 0.5 OUTLIER -149.64 114.33 5.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.402 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 0.2 OUTLIER -167.87 159.21 11.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.286 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 38' ' ' ARG . . . 135.95 53.8 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.435 ' O ' ' N ' ' A' ' 38' ' ' ARG . 4.6 mmm 63.85 154.51 0.12 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.401 ' HA ' ' HG2' ' A' ' 38' ' ' ARG . 18.4 Cg_endo -74.94 -35.75 3.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.528 1.804 . . . . 0.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.1 mtt-85 -68.45 -48.93 63.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -83.42 -57.57 3.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER 57.46 103.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.63 136.4 49.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.085 . . . . 0.0 110.269 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -112.37 124.25 52.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.77 HG12 HD12 ' A' ' 29' ' ' LEU . 16.1 t -88.87 130.45 38.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.401 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -128.23 147.77 50.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.434 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 9.1 tt0 -123.72 153.77 40.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 110.351 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.898 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 14.7 p -138.86 133.05 41.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.63 ' HG3' HG23 ' A' ' 50' ' ' VAL . 1.3 ttmt -122.57 118.77 29.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.526 HG13 ' NE2' ' A' ' 16' ' ' GLN . 2.6 t -128.08 110.14 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.97 -107.68 1.29 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.104 . . . . 0.0 111.032 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -113.7 24.26 12.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -126.75 156.01 41.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.63 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -142.53 154.26 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.898 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -151.14 173.26 14.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 42' ' ' MET . 1.9 p -141.36 158.95 43.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.4 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.425 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -147.74 152.84 24.89 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.501 1.125 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 21.6 p -136.89 157.86 45.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 110.393 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.81 -172.19 42.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.481 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.1 Cg_endo -74.99 -25.12 12.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.412 ' ND2' HG13 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -138.0 163.2 32.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.501 ' HG3' HD13 ' A' ' 28' ' ' LEU . 11.9 ttmt -56.52 -42.72 78.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.95 -68.32 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.481 HD12 ' HG2' ' A' ' 56' ' ' PRO . 28.4 mt -53.28 -50.74 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.12 -39.51 28.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.578 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -68.05 -48.41 65.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.443 ' HG3' HD11 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -53.74 -45.51 70.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -61.28 -34.63 75.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -60.03 -48.16 82.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.526 ' HB2' ' OH ' ' A' ' 26' ' ' TYR . . . -64.36 -36.57 84.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.59 ' HG2' HD12 ' A' ' 71' ' ' LEU . 17.7 tt0 -60.11 -54.41 46.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.73 -41.91 67.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.466 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 36.9 tpp -60.53 -50.7 72.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.552 ' CD2' HD12 ' A' ' 15' ' ' ILE . 1.9 mt -64.14 -34.09 77.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.675 HD21 ' HB2' ' A' ' 80' ' ' SER . 0.3 OUTLIER -67.17 -38.32 85.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.66 -38.81 62.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.2 mt -62.81 -28.77 70.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.93 34.46 5.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.432 1.083 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -106.18 -14.1 15.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.08 21.27 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.1 -53.35 7.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.19 -58.14 3.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.5 m -59.28 -55.75 30.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 0.0 110.401 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.675 ' HB2' HD21 ' A' ' 71' ' ' LEU . 42.4 t -41.48 -61.47 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.02 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mt -49.21 -62.5 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.53 -61.25 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -40.51 -57.03 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.5 t -54.62 -49.91 69.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.98 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -175.56 156.36 21.82 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 164.8 32.52 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.46 1.769 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 79.8 p -170.12 164.33 9.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 110.009 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.3 t -157.74 139.58 14.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -154.66 143.32 20.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 0.728 . . . . 0.0 110.006 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.82 120.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.16 168.61 24.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.7 m 53.02 83.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.744 . . . . 0.0 109.976 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 p -42.22 123.55 2.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.93 178.09 29.4 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.665 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.2 Cg_endo -75.04 -34.05 4.08 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.45 1.763 . . . . 0.0 110.954 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.1 mt -65.59 -73.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -38.8 -50.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.2 ttt85 -54.35 -49.62 69.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.695 HD21 HG21 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -62.84 -42.33 99.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.05 -44.07 96.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -59.82 -27.81 66.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.704 HG22 ' HD2' ' A' ' 19' ' ' ARG . 20.4 mt -80.81 -36.9 15.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.921 ' NE2' HG13 ' A' ' 46' ' ' VAL . 4.2 mm-40 -65.49 -32.34 73.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.341 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.401 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 8.9 pt20 -85.41 -40.68 16.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.401 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -68.62 -27.65 66.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.704 ' HD2' HG22 ' A' ' 15' ' ' ILE . 49.4 mtt-85 -79.96 -17.5 52.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt 66.92 27.67 8.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 10.4 mm-40 -94.04 -73.59 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 163.61 138.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -37.91 156.62 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.506 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.2 Cg_endo -75.0 148.97 35.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -108.64 105.33 14.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.579 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 68.3 m-85 -88.55 134.19 33.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -131.22 130.43 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.672 HD13 ' HG3' ' A' ' 58' ' ' LYS . 15.6 tp -78.71 119.63 22.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.835 HD12 HG12 ' A' ' 41' ' ' VAL . 20.7 mt -77.25 -62.25 1.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.92 -178.13 4.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.947 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -148.28 102.79 3.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -146.66 168.39 21.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 133.22 163.76 10.6 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.47 159.43 0.29 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.454 0.738 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -27.98 9.51 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -77.79 -29.75 50.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.45 78.12 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -61.53 -179.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 32' ' ' ARG . 10.0 tt0 -145.72 117.68 8.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.501 ' CD1' ' HA ' ' A' ' 57' ' ' ASN . 13.7 m-85 -104.52 121.83 44.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.835 HG12 HD12 ' A' ' 29' ' ' LEU . 15.8 t -88.74 122.57 40.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -121.43 149.36 43.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 8.1 tt0 -124.82 152.58 43.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.883 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 14.6 p -137.53 132.05 44.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.617 ' HG3' HG23 ' A' ' 50' ' ' VAL . 2.8 ttmt -119.4 117.17 27.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.921 HG13 ' NE2' ' A' ' 16' ' ' GLN . 7.1 t -125.89 109.89 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 0.0 109.272 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.4 -109.49 1.98 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.94 24.9 12.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -128.57 157.41 41.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.617 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -142.2 155.5 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.883 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -151.22 173.57 14.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.2 p -137.55 160.51 38.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.366 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.437 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -148.1 140.14 8.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.1 p -127.8 151.98 48.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.415 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.66 -172.56 38.48 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.12 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.401 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.4 Cg_endo -75.01 -14.2 21.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.463 1.77 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.501 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 16.7 p30 -151.93 167.17 29.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.672 ' HG3' HD13 ' A' ' 28' ' ' LEU . 20.6 ttmt -55.67 -50.86 69.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 1.4 mmtt -40.76 -76.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.457 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 62.6 mt -46.83 -54.36 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.97 -39.03 5.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.63 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -68.91 -49.62 56.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.04 -46.85 72.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -60.35 -31.14 70.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -60.46 -50.47 73.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.665 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -61.05 -41.87 97.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -51.79 -58.61 5.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.69 -45.89 67.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.471 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 23.0 tpp -56.17 -48.95 75.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.572 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 3.5 mt -64.94 -31.28 72.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -37.28 75.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -37.03 65.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 75' ' ' TYR . 3.9 mp -63.0 -36.18 82.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.71 29.57 4.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.459 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 7.5 m-85 -101.43 -14.59 17.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 0.74 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.09 23.25 2.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.83 -50.9 9.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.6 m -43.05 -58.74 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.5 m -58.58 -52.84 63.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.5 t -41.62 -61.23 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.74 -57.12 13.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -40.39 -56.7 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -57.36 -47.43 81.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.2 t -54.98 -43.8 73.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.047 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -155.44 148.33 18.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -61.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 71.7 p -136.53 157.99 45.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.1 p 176.81 78.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.976 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 t -178.7 114.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 0.797 . . . . 0.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -54.24 164.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.99 133.07 7.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m 56.69 104.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.787 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 m 50.46 91.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.0 152.94 16.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.602 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.1 Cg_endo -75.02 -37.02 2.2 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.479 ' CD1' ' HD2' ' A' ' 62' ' ' LYS . 38.9 mm -62.07 -65.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.94 -55.65 7.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.955 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.2 ttt85 -47.35 -45.03 24.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.6 HD21 HG21 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -66.65 -49.7 65.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.75 -45.29 82.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -58.62 -29.81 66.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.526 HD12 ' CD2' ' A' ' 70' ' ' LEU . 42.5 mt -78.28 -36.71 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.447 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 17.1 mm100 -67.52 -33.68 75.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.424 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 11.2 pt20 -84.65 -41.41 16.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.424 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -66.0 -29.35 69.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.454 ' HD2' HG22 ' A' ' 15' ' ' ILE . 15.1 mtt-85 -79.72 -19.49 48.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.1 mttt 67.13 27.76 8.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -95.83 -75.09 0.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.241 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.28 136.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.426 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 9.5 mt-10 -42.73 160.72 0.19 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.484 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.2 Cg_endo -74.98 148.67 35.69 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -113.1 104.38 12.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.577 ' CE2' ' HG2' ' A' ' 62' ' ' LYS . 95.9 m-85 -87.05 142.13 28.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -135.93 131.61 49.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.5 tp -77.26 123.36 26.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.722 HD12 HG12 ' A' ' 41' ' ' VAL . 15.1 mt -80.34 -61.15 2.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.36 167.98 8.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.502 ' HG2' ' CD2' ' A' ' 40' ' ' PHE . 1.2 mt-10 -123.56 113.46 18.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 179.24 155.04 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.15 53.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.9 mmt 60.93 156.2 0.11 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -37.04 2.24 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.525 1.803 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.19 -52.01 22.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -144.29 76.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.12 146.33 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.254 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 30.7 tt0 -127.48 143.16 51.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.502 ' CD2' ' HG2' ' A' ' 31' ' ' GLU . 30.5 m-85 -118.99 123.98 45.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.722 HG12 HD12 ' A' ' 29' ' ' LEU . 20.5 t -88.84 119.16 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.575 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 4.4 tpt -117.05 148.61 41.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.455 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 9.0 tt0 -121.87 154.48 37.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.835 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 8.0 p -138.87 132.41 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.723 ' HG3' HG23 ' A' ' 50' ' ' VAL . 4.3 ttmt -120.64 120.27 35.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.6 HG21 HD21 ' A' ' 12' ' ' LEU . 2.6 t -129.14 110.04 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.74 -108.33 1.51 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.16 24.69 12.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 0.777 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -127.53 156.84 41.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.723 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -142.71 154.82 17.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.835 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -151.95 175.31 12.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 42' ' ' MET . 1.8 p -143.52 157.6 44.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.423 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -144.94 151.06 23.27 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.115 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 47.4 p -137.09 149.69 47.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.759 . . . . 0.0 110.401 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 39' ' ' GLU . . . -168.87 -165.62 26.57 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.649 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.96 -18.28 18.96 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.447 1.762 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -153.27 157.43 40.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 4.9 ttmt -49.71 -48.97 49.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 58' ' ' LYS . 3.5 mmtp -39.36 -64.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.649 HD12 ' HG2' ' A' ' 56' ' ' PRO . 76.6 mt -60.61 -41.52 88.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.575 ' HB1' ' HB2' ' A' ' 42' ' ' MET . . . -48.22 -48.74 34.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.577 ' HG2' ' CE2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -57.53 -47.91 80.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' CB ' ' HG2' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -56.66 -41.68 77.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -67.24 -28.03 67.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -65.46 -51.49 59.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.602 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -61.26 -43.5 98.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.403 ' HG2' HD12 ' A' ' 71' ' ' LEU . 22.2 tt0 -51.09 -52.52 42.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.76 -40.93 89.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.475 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 41.2 tpp -62.27 -49.78 74.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.526 ' CD2' HD12 ' A' ' 15' ' ' ILE . 2.8 mt -62.42 -35.86 80.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.685 HD21 ' HB2' ' A' ' 80' ' ' SER . 0.3 OUTLIER -66.46 -38.4 87.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -39.05 62.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.5 mt -62.34 -30.24 71.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.52 33.88 4.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -106.26 -14.33 15.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 0.79 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.95 21.85 3.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.99 -53.81 6.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.44 -60.43 1.73 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.977 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -58.3 -54.31 48.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.345 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.685 ' HB2' HD21 ' A' ' 71' ' ' LEU . 40.0 t -40.97 -60.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.044 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.92 -66.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -38.8 -62.12 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -40.48 -56.33 2.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.8 t -57.0 -49.92 74.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 178.21 118.06 0.55 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.442 1.089 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 169.59 22.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.485 1.782 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.56 153.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.978 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.9 t 64.03 130.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.039 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.8 m 58.24 93.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 109.968 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 p -127.97 165.63 19.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.64 129.33 1.1 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 m 64.52 155.5 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 0.789 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.14 105.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.46 176.69 16.95 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.658 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.3 Cg_endo -74.98 -32.26 5.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.556 HD11 ' HD2' ' A' ' 62' ' ' LYS . 41.3 mt -67.61 -73.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -38.27 -44.03 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.0 ttt85 -61.33 -49.16 78.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.581 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.1 OUTLIER -65.23 -47.71 75.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.44 -42.8 78.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -61.79 -26.88 68.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.536 HD12 ' CD2' ' A' ' 70' ' ' LEU . 61.9 mt -81.69 -34.56 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.483 ' NE2' HG13 ' A' ' 46' ' ' VAL . 15.7 mm100 -70.42 -27.05 63.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.492 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 3.1 pt20 -91.18 -46.26 8.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.492 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -59.11 -34.24 71.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.478 ' HD2' HG22 ' A' ' 15' ' ' ILE . 2.4 mtt85 -79.22 -16.39 56.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.355 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.1 mttm 63.69 31.12 14.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 11.3 mm-40 -93.19 -69.71 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 1.0 OUTLIER 164.24 132.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 22' ' ' LYS . 33.5 mt-10 -39.55 159.53 0.11 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.49 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.1 Cg_endo -75.04 147.7 34.12 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.538 1.809 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.27 105.22 15.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.62 ' OH ' ' HB2' ' A' ' 66' ' ' ALA . 60.5 m-85 -88.14 137.45 32.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -136.3 132.34 49.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.525 HD11 ' HD2' ' A' ' 58' ' ' LYS . 18.4 tp -79.1 123.19 27.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.457 HD12 HG12 ' A' ' 41' ' ' VAL . 13.1 mt -80.82 -61.6 1.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.232 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 t -168.74 175.91 5.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.01 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -143.43 125.19 15.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.307 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -171.45 161.73 6.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 143.05 166.87 11.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.3 mmt -48.23 159.0 0.53 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 111.052 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -28.51 9.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.42 1.748 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -44.01 71.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.4 mtm-85 -138.83 77.05 1.6 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.425 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 1.6 mtt180 -55.39 161.27 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -134.67 139.42 45.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 31' ' ' GLU . 43.7 m-85 -128.82 139.32 52.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.457 HG12 HD12 ' A' ' 29' ' ' LEU . 10.3 t -100.17 136.07 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.41 149.55 52.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.421 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 8.8 tt0 -124.6 152.36 43.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 1.017 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 12.7 p -138.15 132.1 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.804 ' HG3' HG23 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -121.93 118.39 28.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.49 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.3 t -127.37 110.12 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.43 -104.94 0.62 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -117.06 24.71 11.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 0.787 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -126.36 154.7 43.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.279 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.804 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -139.41 152.75 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 1.017 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -148.8 169.02 21.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.9 p -136.53 156.18 48.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.413 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -143.19 154.29 25.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 111.044 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 73.5 p -147.01 145.92 29.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 0.807 . . . . 0.0 110.418 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -162.56 -166.69 21.78 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.526 1.142 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.425 ' HA ' ' O ' ' A' ' 38' ' ' ARG . 18.3 Cg_endo -75.04 -24.12 13.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 16.3 p30 -140.15 168.07 20.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.525 ' HD2' HD11 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -57.11 -50.2 73.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.435 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -40.88 -76.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.473 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 51.4 mt -45.11 -50.13 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -45.1 -33.67 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.562 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -75.14 -44.33 47.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.418 ' CA ' ' HG2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -61.16 -41.05 96.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -63.68 -31.27 72.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -61.86 -56.68 16.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.658 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -56.61 -40.06 74.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.597 ' HG2' HD12 ' A' ' 71' ' ' LEU . 15.6 tt0 -54.21 -55.3 29.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.32 -46.55 72.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.581 ' HG2' HD11 ' A' ' 12' ' ' LEU . 37.8 tpp -55.52 -46.53 77.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 66' ' ' ALA . 1.1 mt -71.42 -28.74 64.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.597 HD12 ' HG2' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -73.76 -40.58 63.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.44 -38.76 65.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.248 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.583 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 2.8 mp -60.77 -45.47 94.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 117.5 30.8 1.78 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.583 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 77.8 m-85 -106.56 -24.45 12.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.742 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.78 18.87 7.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 78' ' ' SER . . . -79.13 -59.82 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 77' ' ' ALA . 31.0 m -39.12 -60.33 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 81.0 p -54.21 -48.97 70.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.38 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.572 ' HB2' HD21 ' A' ' 71' ' ' LEU . 8.7 t -44.44 -64.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.2 mp -51.02 -57.02 9.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.26 -53.06 3.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -57.95 -51.6 68.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.2 t -53.36 -38.76 63.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.145 . . . . 0.0 109.969 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -171.68 157.43 27.71 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -57.53 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.02 -65.03 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.952 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.8 m 70.72 125.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.996 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t -115.69 90.29 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 110.009 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.54 80.48 1.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.042 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.21 -162.98 0.06 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.66 99.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 109.965 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 t -172.52 82.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.986 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.54 -177.87 46.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.617 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.3 Cg_endo -74.98 -30.94 6.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.459 1.768 . . . . 0.0 111.022 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 12' ' ' LEU . 41.3 mt -66.9 -73.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -38.67 -46.86 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.968 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -58.06 -47.25 83.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.539 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.0 OUTLIER -65.59 -49.84 67.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.084 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.31 -45.07 80.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -59.92 -29.53 68.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.546 HD12 ' CD2' ' A' ' 70' ' ' LEU . 39.8 mt -77.77 -36.1 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 18.1 mm100 -68.39 -34.59 76.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 12.9 pt20 -84.45 -45.48 12.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.479 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -60.07 -31.89 70.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.509 ' HD2' HG22 ' A' ' 15' ' ' ILE . 3.9 mtt-85 -78.9 -18.78 53.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.9 mttm 66.22 34.9 6.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 5.9 mm-40 -101.79 -72.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.5 OUTLIER 169.54 133.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.409 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 0.7 OUTLIER -42.0 160.79 0.17 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.487 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.5 Cg_endo -74.95 151.97 40.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.83 104.92 12.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.36 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.556 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 76.5 m-85 -87.97 137.85 31.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -133.58 126.75 52.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.61 HD23 ' HG3' ' A' ' 58' ' ' LYS . 2.4 tm? -77.23 113.76 15.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.737 HD12 HG12 ' A' ' 41' ' ' VAL . 18.5 mt -70.9 -61.04 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.3 -165.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.55 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -163.25 115.05 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -153.16 -176.78 5.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 112.46 172.53 18.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.458 ' CE ' ' HB2' ' A' ' 36' ' ' ARG . 8.7 ptm -52.41 161.76 1.01 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.68 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.539 1.81 . . . . 0.0 110.981 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.458 ' HB2' ' CE ' ' A' ' 34' ' ' MET . 0.0 OUTLIER -41.44 -55.89 2.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -140.94 74.53 1.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.429 ' O ' ' HA ' ' A' ' 56' ' ' PRO . 11.3 mmt85 -40.99 161.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -126.49 114.88 18.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.55 ' CD2' ' HB3' ' A' ' 31' ' ' GLU . 12.6 m-85 -105.34 127.11 52.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.737 HG12 HD12 ' A' ' 29' ' ' LEU . 29.8 t -93.23 121.54 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.425 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -119.22 146.33 45.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 111.014 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 9.5 tt0 -121.64 153.93 37.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.964 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 13.0 p -139.56 132.78 36.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.758 ' HG3' HG23 ' A' ' 50' ' ' VAL . 7.8 tttt -120.35 121.34 38.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.503 HG21 HD21 ' A' ' 12' ' ' LEU . 2.5 t -130.23 109.81 18.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.04 -107.69 1.17 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.426 1.079 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -113.98 26.69 10.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.282 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -129.72 157.44 42.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.758 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -141.56 154.68 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.964 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -150.28 172.51 15.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.4 p -140.66 158.26 44.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.423 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -146.63 145.86 15.19 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.2 p -132.21 153.22 50.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.777 . . . . 0.0 110.402 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -171.31 -168.08 32.46 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.448 1.092 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 38' ' ' ARG . 18.1 Cg_endo -75.04 -25.76 11.49 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 16.9 p30 -139.84 168.47 19.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.61 ' HG3' HD23 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -57.06 -51.19 70.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 62' ' ' LYS . 9.6 mtmt -40.13 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.473 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 45.2 mt -44.14 -55.11 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -43.25 -33.41 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.571 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -71.04 -47.09 60.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -58.21 -44.97 88.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -61.33 -29.38 69.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.357 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -64.07 -54.71 29.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.617 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -57.07 -41.43 78.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -51.21 -60.01 3.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.42 -50.26 52.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.539 ' HG2' HD11 ' A' ' 12' ' ' LEU . 34.9 tpp -50.95 -49.15 60.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.546 ' CD2' HD12 ' A' ' 15' ' ' ILE . 5.0 mt -63.49 -38.74 92.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -40.81 97.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.243 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -39.53 64.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.561 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -59.21 -45.85 89.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.3 34.45 1.02 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 75.2 m-85 -106.69 -28.54 10.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -120.93 23.1 10.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.09 -59.17 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.15 -57.19 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.9 m -57.44 -53.69 55.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.443 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.8 t -43.24 -64.74 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.002 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.48 -64.42 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 83' ' ' ASP . 10.9 tt0 -38.96 -61.27 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.342 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 82' ' ' GLN . 0.8 OUTLIER -40.53 -57.13 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.81 -49.98 73.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -148.09 109.16 0.45 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.145 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -54.14 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.778 . . . . 0.0 111.059 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.78 -60.59 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.67 145.38 25.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.033 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.68 89.57 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 109.986 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.42 145.71 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.66 118.39 0.75 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -127.89 127.01 42.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 49.51 89.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.85 176.18 47.03 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.557 1.161 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.505 ' O ' HD11 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -74.93 -31.18 6.55 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.446 1.761 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.657 HD11 ' HA ' ' A' ' 63' ' ' LYS . 10.7 mm -63.28 -68.36 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.12 -54.47 6.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.99 -45.05 4.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.77 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.2 OUTLIER -68.77 -47.97 64.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.77 -40.37 75.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.107 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -64.83 -26.31 68.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.539 HD12 ' CD2' ' A' ' 70' ' ' LEU . 56.8 mt -82.32 -33.19 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.471 ' NE2' HG13 ' A' ' 46' ' ' VAL . 16.0 mm100 -70.86 -27.8 64.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.474 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 13.8 pt20 -89.35 -44.74 9.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.474 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -62.27 -29.47 70.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.478 ' HD2' HG22 ' A' ' 15' ' ' ILE . 4.3 mtt-85 -81.59 -19.07 42.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.4 mttt 66.15 27.72 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 6.6 mm-40 -93.1 -74.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 170.21 135.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.445 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -41.63 159.79 0.17 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.484 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -74.98 147.14 33.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.522 1.801 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.12 104.33 13.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.597 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 85.6 m-85 -87.8 135.34 33.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mp -130.23 133.87 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.574 ' C ' HD13 ' A' ' 28' ' ' LEU . 2.8 tm? -82.04 111.73 18.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.753 HD12 HG12 ' A' ' 41' ' ' VAL . 17.2 mt -68.03 -62.36 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.98 -176.58 2.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 2.1 pm0 -143.53 123.6 13.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 178.71 158.57 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 147.71 -157.21 27.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.14 . . . . 0.0 110.999 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.84 157.16 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -38.76 1.46 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.508 1.794 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.83 -54.07 2.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -42.72 89.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 58.04 157.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.71 138.88 21.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.57 ' CD2' ' HD2' ' A' ' 58' ' ' LYS . 54.0 m-85 -124.97 151.72 45.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.753 HG12 HD12 ' A' ' 29' ' ' LEU . 25.3 t -111.42 126.2 68.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.464 ' SD ' HD23 ' A' ' 28' ' ' LEU . 2.3 tpt -122.89 145.97 47.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.439 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 9.8 tt0 -124.01 153.68 40.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.992 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 10.4 p -138.47 133.21 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.811 ' HG3' HG23 ' A' ' 50' ' ' VAL . 2.1 ttmt -122.39 119.85 32.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.3 t -130.74 109.98 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.76 -108.96 1.76 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.497 1.123 . . . . 0.0 110.94 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -112.83 24.47 12.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 0.786 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.95 155.32 43.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.811 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -141.78 154.0 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.992 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -149.73 172.87 14.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.8 p -143.47 160.03 41.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.17 . . . . 0.0 110.387 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.436 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -148.96 152.74 24.72 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.3 p -138.62 150.17 45.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 0.777 . . . . 0.0 110.34 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.09 -173.19 37.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.635 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -74.96 -22.47 14.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.46 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -141.96 154.23 44.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.32 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.696 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -44.08 -52.73 6.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.91 -76.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.635 HD12 ' HG2' ' A' ' 56' ' ' PRO . 44.9 mt -43.54 -43.77 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -50.21 -55.92 13.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.597 ' HG2' ' CE1' ' A' ' 26' ' ' TYR . 3.1 ttmm -56.57 -47.39 79.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.657 ' HA ' HD11 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -52.88 -43.12 65.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -69.71 -27.72 65.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -66.46 -54.1 27.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.362 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.426 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -61.49 -41.29 97.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.428 ' O ' HD12 ' A' ' 71' ' ' LEU . 25.0 tt0 -52.42 -50.99 61.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.78 98.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.77 ' HG2' HD11 ' A' ' 12' ' ' LEU . 27.5 tpp -58.59 -41.46 85.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.539 ' CD2' HD12 ' A' ' 15' ' ' ILE . 1.9 mt -72.35 -27.77 62.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' ' 80' ' ' SER . 0.3 OUTLIER -72.89 -40.39 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -41.63 64.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.573 ' HB3' ' CD2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -57.64 -47.48 82.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.358 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.54 34.71 0.91 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.128 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.573 ' CD2' ' HB3' ' A' ' 73' ' ' LEU . 77.4 m-85 -106.46 -26.42 11.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.753 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.39 20.27 8.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.64 -51.69 7.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.2 p -46.13 -61.91 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.038 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 55.2 m -57.4 -49.95 74.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.382 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.454 ' HB2' HD21 ' A' ' 71' ' ' LEU . 9.1 t -40.78 -61.76 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.67 -62.79 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -38.94 -63.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -41.52 -55.44 2.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.08 -49.95 74.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.001 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.29 142.19 48.29 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -59.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.529 1.805 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.48 167.46 11.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.77 -58.47 2.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.025 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 t -109.52 113.61 26.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.1 p -174.53 89.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.043 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.47 132.33 6.3 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -55.62 149.21 14.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 43.07 88.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.35 158.62 22.82 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.537 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.3 Cg_endo -74.98 -33.47 4.59 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.475 ' CD1' ' HD2' ' A' ' 62' ' ' LYS . 33.6 mt -68.54 -73.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.33 -45.93 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.4 ' NH2' ' O ' ' A' ' 75' ' ' TYR . 13.2 ttt180 -57.88 -44.0 86.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.669 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.1 OUTLIER -70.03 -48.76 56.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.01 -46.73 75.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -58.74 -29.2 66.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.518 HD12 ' CD2' ' A' ' 70' ' ' LEU . 53.7 mt -77.3 -37.09 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.457 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 19.3 mm100 -67.5 -35.87 79.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 1.6 pt20 -82.22 -45.28 15.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.479 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -60.9 -31.81 71.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.429 ' HD2' HG22 ' A' ' 15' ' ' ILE . 3.4 mtt-85 -78.48 -15.24 58.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 mttt 63.56 29.62 15.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 6.1 mm-40 -95.99 -71.4 0.67 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 4.4 tttp 166.19 132.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.421 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 2.8 mt-10 -39.84 160.53 0.11 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.472 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -75.0 150.91 38.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.769 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.68 105.39 14.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 63.0 m-85 -88.42 136.13 33.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -135.43 129.29 49.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.739 HD23 ' HG3' ' A' ' 58' ' ' LYS . 2.3 tm? -77.08 111.76 13.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.668 HD12 ' CG1' ' A' ' 41' ' ' VAL . 8.6 mt -65.42 -64.84 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.3 -168.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.993 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.501 ' O ' ' CD ' ' A' ' 32' ' ' ARG . 11.3 mt-10 -145.77 140.45 27.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 110.338 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER 178.8 179.86 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 114.76 -173.19 14.65 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 6.0 mmm -45.74 156.65 0.42 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 110.969 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -25.47 11.82 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -98.36 -50.76 4.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -65.52 -56.11 14.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 64.54 132.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 32' ' ' ARG . 15.9 tt0 -126.46 121.39 32.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.35 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 57' ' ' ASN . 24.7 m-85 -110.91 126.44 54.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.668 ' CG1' HD12 ' A' ' 29' ' ' LEU . 22.0 t -91.62 123.35 43.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.123 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.422 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -119.66 146.83 45.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.476 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 7.5 tt0 -121.72 151.35 40.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.698 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 12.8 p -139.05 130.73 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.836 ' HG3' HG23 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -117.55 118.49 32.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.499 HG21 HD21 ' A' ' 12' ' ' LEU . 2.6 t -125.09 110.01 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.46 -107.32 1.08 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -114.1 25.86 10.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -129.35 157.95 40.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.336 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.836 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -143.1 151.22 17.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.698 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -148.15 170.05 18.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.1 p -133.85 157.11 46.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.341 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.9 140.94 9.52 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.477 1.11 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.5 p -131.0 161.3 32.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.73 -158.53 21.43 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.594 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -75.03 -36.98 2.22 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.772 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.469 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 0.4 OUTLIER -135.45 176.2 8.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.739 ' HG3' HD23 ' A' ' 28' ' ' LEU . 2.1 ttmm -60.19 -51.93 67.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -36.97 -78.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.594 HD12 ' HG2' ' A' ' 56' ' ' PRO . 64.9 mt -46.5 -54.27 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.72 -32.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.564 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -74.43 -46.98 36.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 60' ' ' ILE . 0.1 OUTLIER -56.84 -42.87 80.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -63.86 -31.84 73.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -59.02 -48.91 79.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.584 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -65.42 -42.32 92.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.544 ' HG2' HD12 ' A' ' 71' ' ' LEU . 25.9 tt0 -55.15 -51.29 66.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.26 -40.21 81.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.669 ' HG2' HD11 ' A' ' 12' ' ' LEU . 36.9 tpp -62.24 -52.91 61.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.518 ' CD2' HD12 ' A' ' 15' ' ' ILE . 1.8 mt -58.68 -38.01 77.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.577 HD21 ' HB2' ' A' ' 80' ' ' SER . 0.3 OUTLIER -68.78 -39.96 79.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.54 ' OE1' ' HB2' ' A' ' 51' ' ' ALA . 1.4 pt20 -71.59 -28.13 63.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.33 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.4 mt -76.59 -27.29 55.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.03 35.41 5.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.4 ' O ' ' NH2' ' A' ' 11' ' ' ARG . 5.7 m-85 -105.95 -13.07 15.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.34 25.44 2.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.12 -51.47 8.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.4 t -44.53 -55.85 4.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.8 m -60.64 -55.64 30.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.438 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.577 ' HB2' HD21 ' A' ' 71' ' ' LEU . 22.8 t -40.43 -60.42 1.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.53 -65.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -39.03 -64.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -40.5 -54.43 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.45 -49.26 67.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.99 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -113.26 97.32 0.86 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 143.19 28.7 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.496 1.787 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.65 -58.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.037 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.6 t -59.51 165.96 2.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.046 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t -120.29 97.59 5.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 0.736 . . . . 0.0 109.971 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -148.85 140.93 23.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.75 -103.2 0.28 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.98 -68.49 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 110.012 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.64 117.4 28.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.39 178.68 44.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.446 1.091 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.492 ' O ' HD11 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -74.94 -29.91 7.82 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.716 HD13 ' HE3' ' A' ' 62' ' ' LYS . 43.1 mt -68.83 -74.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 t -40.95 -52.57 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -50.19 -40.28 46.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -71.15 -48.3 52.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.24 -44.72 84.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -59.66 -30.06 68.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.539 HD12 ' CD2' ' A' ' 70' ' ' LEU . 56.7 mt -76.99 -37.03 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.456 ' NE2' HG13 ' A' ' 46' ' ' VAL . 18.1 mm100 -66.35 -36.11 82.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.473 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 2.4 pt20 -82.86 -45.4 14.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.473 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -60.15 -31.54 70.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.446 ' HD2' HG22 ' A' ' 15' ' ' ILE . 12.1 mtt180 -79.52 -18.53 51.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mttm 65.81 33.52 8.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 28.6 mm-40 -100.03 -72.41 0.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 169.84 133.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -42.56 159.64 0.2 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.464 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.1 Cg_endo -75.03 148.45 35.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.452 1.764 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.07 102.11 11.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.611 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 58.7 m-85 -88.85 134.64 33.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 28' ' ' LEU . 2.3 mp -132.35 167.34 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.566 ' C ' HD13 ' A' ' 28' ' ' LEU . 2.3 tm? -110.95 112.04 23.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.2 mt -69.98 -61.99 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -168.1 -172.39 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.001 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.534 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 13.2 pt-20 -152.9 120.71 6.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.29 -172.71 3.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.32 -129.08 8.15 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -104.96 152.86 39.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 111.011 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -0.99 10.64 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.25 -49.61 3.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 38' ' ' ARG . 0.8 OUTLIER -93.18 -31.01 14.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 34' ' ' MET . 7.9 mmt180 44.88 96.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -82.67 130.45 35.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.534 ' CD1' ' HB3' ' A' ' 31' ' ' GLU . 18.7 m-85 -122.04 130.09 52.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.421 ' O ' HD22 ' A' ' 28' ' ' LEU . 6.4 t -93.79 128.91 44.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.425 ' SD ' HD23 ' A' ' 28' ' ' LEU . 2.4 tpt -125.64 139.91 53.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -113.7 155.52 25.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.694 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 7.0 p -141.94 129.43 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.782 ' HG3' HG23 ' A' ' 50' ' ' VAL . 4.2 ttmt -116.89 117.44 29.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.472 ' HB ' ' HE3' ' A' ' 69' ' ' MET . 2.5 t -123.82 110.28 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.01 -107.88 1.23 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -113.41 26.62 10.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -130.06 157.46 42.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.782 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -142.57 151.17 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.694 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -148.62 168.77 21.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.2 p -138.86 158.37 44.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.423 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -152.03 150.87 22.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.7 p -130.03 164.64 23.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 110.429 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -179.06 -179.78 48.77 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HG2' ' CD1' ' A' ' 60' ' ' ILE . 18.2 Cg_endo -74.98 -10.49 21.28 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -154.17 151.73 29.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.464 ' HD2' ' CD1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -45.33 -45.5 12.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.84 -70.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.412 ' CD1' ' HG2' ' A' ' 56' ' ' PRO . 59.1 mt -51.76 -45.96 38.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -47.26 -59.9 2.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.716 ' HE3' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -50.17 -53.11 30.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.523 ' HG3' HD11 ' A' ' 9' ' ' ILE . 1.6 mtmt -50.07 -45.58 52.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -61.85 -32.87 73.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -64.81 -49.06 72.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.511 ' HB2' ' OH ' ' A' ' 26' ' ' TYR . . . -63.74 -41.86 97.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.544 ' HG2' HD12 ' A' ' 71' ' ' LEU . 17.6 tt0 -57.64 -48.74 78.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.72 -42.89 89.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.472 ' HE3' ' HB ' ' A' ' 46' ' ' VAL . 39.8 tpp -59.66 -56.14 25.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.539 ' CD2' HD12 ' A' ' 15' ' ' ILE . 4.0 mt -53.45 -42.49 67.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.544 HD12 ' HG2' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -66.28 -39.32 89.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.581 ' OE1' ' HB2' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -72.33 -25.44 61.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.6 mt -77.17 -29.93 54.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.64 35.55 4.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -105.97 -13.27 15.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.77 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.19 25.49 2.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.5 -61.66 1.87 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.4 -58.8 1.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.6 m -58.71 -54.87 42.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.457 ' HB2' HD21 ' A' ' 71' ' ' LEU . 24.5 t -40.36 -59.34 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 109.958 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.66 -65.21 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -39.01 -61.54 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -40.58 -55.74 2.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.8 t -53.31 -49.94 65.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.029 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 178.79 -175.58 47.44 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 151.21 39.05 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.428 1.751 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.72 164.12 34.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.8 t -111.48 155.48 23.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.97 -58.58 3.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 0.789 . . . . 0.0 110.031 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.7 m -120.2 87.89 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.964 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.0 156.86 9.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.102 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 m -100.16 145.88 27.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.025 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m 61.73 91.8 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.961 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.29 176.15 18.27 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.478 ' O ' HD11 ' A' ' 70' ' ' LEU . 18.4 Cg_endo -74.96 -32.12 5.7 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.526 1.803 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.681 HD11 ' HA ' ' A' ' 63' ' ' LYS . 14.9 mm -63.34 -67.94 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.49 -55.98 4.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.004 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.36 -47.65 6.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.739 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.1 OUTLIER -66.68 -49.53 65.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.44 -43.97 72.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -62.54 -27.83 69.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.549 HD12 ' CD2' ' A' ' 70' ' ' LEU . 38.3 mt -80.45 -32.48 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.598 ' NE2' HG13 ' A' ' 46' ' ' VAL . 14.2 mm100 -71.57 -31.04 66.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.463 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 12.6 pt20 -85.83 -44.1 12.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.463 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -63.4 -32.12 73.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.538 ' HD2' HG22 ' A' ' 15' ' ' ILE . 11.6 mtt180 -77.84 -19.04 55.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.5 mttt 66.94 25.28 9.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 47.9 mm-40 -91.31 -74.66 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER 169.48 134.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.44 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 3.6 mt-10 -39.94 160.23 0.11 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.486 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -75.0 145.44 31.45 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.458 1.767 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.14 101.0 10.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.652 ' CD1' ' CG ' ' A' ' 62' ' ' LYS . 73.6 m-85 -88.87 129.34 35.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 28' ' ' LEU . 2.4 mp -127.04 167.7 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.482 HD13 ' N ' ' A' ' 30' ' ' SER . 2.5 tm? -109.27 110.67 21.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.536 ' HB2' HG12 ' A' ' 41' ' ' VAL . 6.5 mt -70.76 -52.08 23.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.482 ' N ' HD13 ' A' ' 28' ' ' LEU . 0.4 OUTLIER 176.61 -170.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.443 ' OE1' HD11 ' A' ' 28' ' ' LEU . 3.9 pm0 -160.53 126.36 4.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.8 ptt180 177.04 -54.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 48.88 -101.56 0.04 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.91 163.38 33.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -25.87 11.58 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -102.46 -15.16 16.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.41 82.09 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -60.12 136.65 58.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 4.7 tm-20 -135.42 146.29 48.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -111.01 126.21 54.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.536 HG12 ' HB2' ' A' ' 29' ' ' LEU . 3.2 t -88.68 124.94 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.658 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 4.4 tpt -124.78 151.61 44.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.474 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 10.1 tt0 -127.07 158.2 37.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.933 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 14.2 p -142.74 130.33 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.639 ' HG3' HG23 ' A' ' 50' ' ' VAL . 1.8 ttmt -119.23 118.54 31.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.598 HG13 ' NE2' ' A' ' 16' ' ' GLN . 2.1 t -129.88 109.92 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.87 -111.89 3.39 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -109.61 24.86 12.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 0.792 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -127.96 155.02 44.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.639 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -142.25 154.14 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.933 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -150.87 174.02 13.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 p -144.45 157.69 44.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.453 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.416 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -141.81 149.9 21.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.539 1.149 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 62.8 p -136.93 135.08 37.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 0.732 . . . . 0.0 110.38 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 39' ' ' GLU . . . -158.95 -175.64 30.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -21.95 15.4 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 5.9 p-10 -141.09 142.93 34.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.595 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 12.0 ttmt -39.66 -43.86 1.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.25 -65.07 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 77.2 mt -58.46 -35.75 55.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.658 ' HB1' ' HB2' ' A' ' 42' ' ' MET . . . -52.94 -55.48 23.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.652 ' CG ' ' CD1' ' A' ' 26' ' ' TYR . 5.0 ttmm -57.94 -48.84 78.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.681 ' HA ' HD11 ' A' ' 9' ' ' ILE . 1.1 mtmt -52.58 -50.68 62.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -61.04 -27.69 68.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -69.81 -55.55 9.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.459 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -58.3 -41.35 84.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.528 ' HA ' HD12 ' A' ' 70' ' ' LEU . 20.2 tt0 -55.85 -50.55 70.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.9 80.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.739 ' HG2' HD11 ' A' ' 12' ' ' LEU . 25.3 tpp -65.6 -39.55 91.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.549 ' CD2' HD12 ' A' ' 15' ' ' ILE . 1.7 mt -73.09 -25.1 60.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.641 HD21 ' HB3' ' A' ' 80' ' ' SER . 0.3 OUTLIER -73.56 -39.99 64.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -36.59 75.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.553 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 2.4 mp -62.63 -48.65 78.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 119.97 33.75 1.04 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 73' ' ' LEU . 76.8 m-85 -106.27 -25.28 12.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 110.95 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.05 21.72 8.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -80.35 -56.23 4.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.59 -52.66 17.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 m -62.46 -59.19 5.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.641 ' HB3' HD21 ' A' ' 71' ' ' LEU . 80.2 p -40.76 -57.81 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.989 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.65 -62.44 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -40.27 -59.37 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -42.55 -58.76 2.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 26.2 t -55.79 -49.41 73.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.019 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -171.45 162.92 35.58 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 161.15 39.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 m -175.03 169.59 3.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.018 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.5 t -171.3 139.81 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.035 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.477 1.11 . . . . 0.0 111.042 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.3 m 61.17 87.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -169.07 -58.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.018 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.13 65.78 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.6 p 47.69 89.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 109.954 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 p 177.7 152.27 0.25 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.97 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.52 171.52 18.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.595 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.4 Cg_endo -74.99 -31.97 5.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.448 1.762 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.421 HD13 ' HE3' ' A' ' 62' ' ' LYS . 40.6 mt -68.95 -74.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 t -38.98 -50.95 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.982 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.9 ttt85 -53.47 -48.55 68.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.61 HD21 HG21 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -62.4 -44.14 97.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.53 98.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -59.63 -31.29 69.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.529 ' CD1' ' CD2' ' A' ' 70' ' ' LEU . 24.9 mt -76.46 -39.47 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.377 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.962 ' NE2' HG13 ' A' ' 46' ' ' VAL . 3.8 mm-40 -64.76 -36.77 85.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -81.17 -39.95 24.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.16 -26.79 64.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.437 ' HD2' HG22 ' A' ' 15' ' ' ILE . 68.5 mtt180 -79.92 -18.8 49.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 110.307 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mttt 68.07 23.44 8.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 6.7 mm-40 -90.23 -78.75 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 0.0 OUTLIER 174.84 131.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 22' ' ' LYS . 1.8 mt-10 -38.93 158.36 0.11 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.49 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -74.98 147.09 33.53 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.545 1.813 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -109.45 105.41 14.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.579 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 56.2 m-85 -88.0 135.56 33.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 mp -134.51 134.19 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.612 HD13 ' HE2' ' A' ' 58' ' ' LYS . 12.1 tp -83.74 113.52 20.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.656 HD12 ' CG1' ' A' ' 41' ' ' VAL . 16.2 mt -68.96 -62.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.9 t -169.4 -178.51 3.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 2.2 pm0 -146.37 124.78 12.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.12 170.23 16.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.256 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 130.08 171.84 13.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.77 162.54 1.33 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.549 0.794 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -34.93 3.45 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.539 1.81 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.02 -49.84 68.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -136.81 75.75 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -60.97 175.37 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -135.63 142.39 45.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -129.16 124.5 34.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.656 ' CG1' HD12 ' A' ' 29' ' ' LEU . 40.6 t -88.99 130.87 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.425 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -127.1 149.53 49.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 111.024 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 8.3 tt0 -126.57 152.29 46.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.222 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.818 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 13.1 p -139.53 130.05 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.706 ' HG3' HG23 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -115.87 118.11 32.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.962 HG13 ' NE2' ' A' ' 16' ' ' GLN . 20.4 t -126.5 109.99 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.34 -109.54 1.99 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -112.31 24.94 12.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -128.74 157.14 42.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.706 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -141.89 151.57 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.818 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -146.17 169.39 18.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 42' ' ' MET . 1.7 p -137.19 154.71 50.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.431 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -140.83 151.45 22.44 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 34.6 p -137.3 154.52 50.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 0.0 110.442 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -178.67 -172.32 42.89 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.11 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -30.57 7.0 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.484 1.781 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.09 161.38 34.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.348 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.612 ' HE2' HD13 ' A' ' 28' ' ' LEU . 8.4 ttmt -51.74 -48.38 63.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.5 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 71.3 mt -47.56 -50.18 8.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.91 -41.07 23.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.579 ' HD3' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.32 -50.26 41.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.37 -43.23 61.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -65.79 -33.74 76.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -60.26 -49.23 78.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.595 ' HB3' ' HB2' ' A' ' 8' ' ' PRO . . . -62.72 -41.47 99.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.445 ' HG2' HD12 ' A' ' 71' ' ' LEU . 22.0 tt0 -53.44 -56.87 13.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.343 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.69 -47.85 63.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.466 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 30.8 tpp -54.16 -52.43 61.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.529 ' CD2' ' CD1' ' A' ' 15' ' ' ILE . 2.4 mt -62.02 -35.51 78.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.613 HD21 ' HB2' ' A' ' 80' ' ' SER . 0.3 OUTLIER -65.67 -38.38 89.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -38.61 62.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.14 -35.25 78.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 106.28 33.98 3.27 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -106.12 -14.69 15.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -136.23 22.2 3.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.58 -53.42 6.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.0 p -42.89 -61.35 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 m -57.58 -53.57 56.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.613 ' HB2' HD21 ' A' ' 71' ' ' LEU . 38.2 t -41.44 -58.4 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.4 mt -40.68 -67.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.29 -63.01 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.5 -56.65 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.8 t -53.13 -49.95 65.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 171.67 129.73 1.16 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.143 . . . . 0.0 111.049 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 142.28 27.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.6 t -106.93 134.42 50.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.974 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 89' ' ' GLY . 88.9 p -176.97 119.89 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.0 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' SER . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 t -59.45 142.28 52.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.81 82.45 2.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.027 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.41 -159.49 25.28 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m 63.35 163.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.75 . . . . 0.0 109.997 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.1 p -109.72 128.18 55.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.966 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.24 -179.5 45.83 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -35.21 3.25 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 110.956 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.751 HD13 ' HB2' ' A' ' 66' ' ' ALA . 39.3 mm -62.55 -68.99 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.3 -51.15 11.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.5 ttt85 -49.02 -48.7 43.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.728 HD21 HG21 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -63.2 -42.52 99.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.71 97.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -62.1 -30.59 71.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.581 HG22 ' HD2' ' A' ' 19' ' ' ARG . 33.0 mt -76.05 -38.69 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.926 ' NE2' HG13 ' A' ' 46' ' ' VAL . 4.3 mm-40 -66.55 -35.57 80.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.78 -38.87 22.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.52 -26.81 63.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.581 ' HD2' HG22 ' A' ' 15' ' ' ILE . 49.4 mtt180 -80.54 -18.15 49.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 19' ' ' ARG . 10.7 mttt 69.55 18.8 7.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 22.3 mm-40 -85.07 -80.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 1.3 tptt 176.88 132.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -39.13 157.5 0.12 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.502 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -75.01 146.75 32.98 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -108.34 105.65 15.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.569 ' OH ' HG23 ' A' ' 9' ' ' ILE . 84.9 m-85 -88.34 130.73 35.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 mp -128.34 129.52 69.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.462 ' C ' HD13 ' A' ' 28' ' ' LEU . 2.9 tm? -78.11 115.07 17.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.7 HD12 HG12 ' A' ' 41' ' ' VAL . 13.4 mt -72.27 -63.42 1.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 96.1 p -169.41 -175.39 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.602 ' OE1' ' CE2' ' A' ' 40' ' ' PHE . 43.8 mt-10 -148.2 107.76 3.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -154.09 163.92 39.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.18 -168.12 24.95 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 12.9 mtt -48.84 156.47 0.89 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.55 0.794 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.31 2.64 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -53.81 38.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -132.2 83.11 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -57.83 153.46 13.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 32' ' ' ARG . 0.6 OUTLIER -105.6 122.23 45.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.602 ' CE2' ' OE1' ' A' ' 31' ' ' GLU . 6.9 m-85 -101.83 133.07 47.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.7 HG12 HD12 ' A' ' 29' ' ' LEU . 21.8 t -98.53 119.03 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.427 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -116.81 144.35 44.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.454 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 7.4 tt0 -120.2 149.92 41.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.913 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 7.8 p -136.31 128.77 45.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.694 ' HG3' HG23 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -115.73 117.03 29.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.926 HG13 ' NE2' ' A' ' 16' ' ' GLN . 12.3 t -125.85 109.95 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.76 -110.89 2.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -110.9 25.84 11.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -130.22 157.54 42.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.694 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -141.23 153.68 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.913 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -147.9 169.43 19.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.3 p -135.29 158.1 45.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.426 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -145.93 142.16 10.35 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 40' ' ' PHE . 72.1 p -132.03 152.59 51.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 0.783 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -173.24 -170.08 36.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.593 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -75.01 -18.48 18.68 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.473 1.775 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 60' ' ' ILE . 14.7 p30 -149.55 158.81 44.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -46.66 -56.47 6.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' LYS . 11.8 mtmt -37.69 -76.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.593 HD12 ' HG2' ' A' ' 56' ' ' PRO . 96.7 mt -44.2 -49.76 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -48.41 -43.21 33.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.634 ' C ' HD11 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -65.38 -46.83 78.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.35 -42.34 73.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -71.37 -24.24 62.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -68.05 -50.49 54.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.751 ' HB2' HD13 ' A' ' 9' ' ' ILE . . . -61.31 -39.09 89.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.78 ' HA ' HD12 ' A' ' 70' ' ' LEU . 19.8 tt0 -56.25 -65.08 0.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.86 -49.81 5.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.477 ' HG2' HD11 ' A' ' 12' ' ' LEU . 18.4 tpp -50.95 -51.25 54.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.78 HD12 ' HA ' ' A' ' 67' ' ' GLU . 1.4 mt -59.56 -50.09 75.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -51.35 -42.79 61.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -38.16 78.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.55 ' HB3' ' CE1' ' A' ' 75' ' ' TYR . 90.2 mt -68.42 -22.78 64.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.58 41.4 6.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.102 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.55 ' CE1' ' HB3' ' A' ' 73' ' ' LEU . 5.5 m-85 -106.28 -12.83 15.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -149.62 24.34 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.53 -56.42 5.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.27 -59.83 2.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 m -54.83 -50.66 68.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 81' ' ' LEU . 32.6 t -42.31 -63.61 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.004 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 80' ' ' SER . 1.9 mt -40.3 -63.24 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 83' ' ' ASP . 2.4 mt-30 -40.55 -64.77 0.48 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.132 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 82' ' ' GLN . 3.7 t0 -40.5 -56.63 2.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.0 t -53.62 -49.95 66.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.053 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -167.03 162.3 36.11 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 140.59 25.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 84.8 p -165.54 166.62 18.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.1 t -85.28 -58.87 2.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 110.021 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 111.05 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 t -176.88 141.21 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 0.736 . . . . 0.0 109.991 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.93 145.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.57 81.94 1.08 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.0 p -158.28 166.1 33.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 0.745 . . . . 0.0 110.017 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.04 114.47 27.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.55 -174.61 14.04 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.461 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.4 Cg_endo -74.98 -29.08 8.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.784 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.533 HD13 ' HE3' ' A' ' 62' ' ' LYS . 33.2 mt -67.09 -73.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.85 -50.32 10.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.83 ' HD3' HD22 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -51.39 -60.71 2.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.741 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.0 OUTLIER -52.88 -45.54 67.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 17' ' ' GLN . . . -60.11 -44.76 94.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -59.86 -31.41 69.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.521 HD12 ' CD2' ' A' ' 70' ' ' LEU . 58.9 mt -72.82 -39.0 58.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.479 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 17.9 mm100 -60.65 -28.65 68.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 13' ' ' ALA . 1.0 OUTLIER -89.35 -46.05 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.73 -29.09 62.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -84.71 -19.86 32.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 mttt 67.75 31.59 5.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.512 ' O ' ' CD ' ' A' ' 22' ' ' LYS . 6.0 mm-40 -96.36 -75.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.512 ' CD ' ' O ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER 173.07 135.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.448 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 1.6 mt-10 -43.7 160.38 0.22 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.472 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -74.98 147.14 33.61 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.534 1.807 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.26 104.76 14.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.564 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 82.2 m-85 -87.95 134.11 33.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.5 mp -132.22 127.26 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.455 ' CD2' ' HG3' ' A' ' 58' ' ' LYS . 1.7 tm? -76.98 114.13 15.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.485 HD12 HG12 ' A' ' 41' ' ' VAL . 12.4 mt -69.57 -59.77 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.09 -170.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.565 ' HG3' ' CE2' ' A' ' 40' ' ' PHE . 1.0 OUTLIER -141.05 121.38 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 ptm85 -176.47 151.07 0.93 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.279 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.5 -118.43 0.77 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.3 mmm -100.95 161.91 22.26 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.485 0.756 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.13 2.75 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.455 1.766 . . . . 0.0 111.02 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.8 mtt-85 -66.86 -57.98 5.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.251 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -131.93 84.56 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -48.25 168.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.26 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 8.6 tt0 -126.98 136.17 51.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 31' ' ' GLU . 12.5 m-85 -109.6 124.93 51.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.485 HG12 HD12 ' A' ' 29' ' ' LEU . 11.1 t -89.38 128.48 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.411 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -126.34 144.08 50.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.436 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 8.2 tt0 -120.07 151.81 38.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.956 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 11.1 p -137.9 131.14 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.689 ' HG3' HG23 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -119.57 117.48 28.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.6 t -126.01 110.28 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.55 -107.91 1.32 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -113.96 25.25 11.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -128.6 157.02 42.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.689 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -141.08 154.29 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.956 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -148.81 168.2 23.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.3 p -136.15 157.13 47.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.432 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.438 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -146.85 151.42 23.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 39.6 p -136.46 152.23 50.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 0.746 . . . . 0.0 110.385 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 39' ' ' GLU . . . -172.49 -175.94 40.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -13.17 21.54 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.471 ' ND2' HD12 ' A' ' 60' ' ' ILE . 19.3 p30 -150.04 167.72 25.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.455 ' HG3' ' CD2' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -56.83 -48.8 77.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.435 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -43.15 -76.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.471 HD12 ' ND2' ' A' ' 57' ' ' ASN . 55.6 mt -46.6 -50.91 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.87 -38.5 10.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.564 ' HD3' ' CE1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -73.91 -45.48 50.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -46.24 70.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -63.46 -36.08 82.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.438 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -62.84 -47.44 83.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.519 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -62.07 -38.43 88.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.493 ' HA ' HD12 ' A' ' 70' ' ' LEU . 26.5 tt0 -59.12 -66.44 0.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.276 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -40.62 -49.83 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.741 ' HG2' HD11 ' A' ' 12' ' ' LEU . 29.4 tpp -50.54 -44.92 56.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.83 HD22 ' HD3' ' A' ' 11' ' ' ARG . 3.5 mt -71.33 -46.64 60.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.501 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -54.37 -45.34 72.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -44.85 77.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.569 ' HB3' ' CD1' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -52.9 -42.95 65.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.9 39.48 1.71 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.569 ' CD1' ' HB3' ' A' ' 73' ' ' LEU . 6.1 m-85 -106.4 -15.23 14.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 111.051 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -154.86 24.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 71' ' ' LEU . . . -74.37 -54.88 6.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.4 -56.0 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.2 p -56.01 -32.7 64.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.25 -64.94 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.8 -64.06 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -39.48 -64.61 0.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.7 -56.58 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.6 t -54.01 -49.88 67.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.975 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -173.87 121.55 0.85 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 163.52 35.13 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.549 1.815 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.0 98.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.979 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.1 p -132.45 -57.62 0.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.7 p -133.12 156.93 46.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.026 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.82 -60.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.986 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.53 132.28 7.41 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.85 114.95 2.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.043 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.35 108.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.975 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.93 -171.03 38.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.51 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.4 Cg_endo -74.96 -32.15 5.67 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.651 HD13 ' HE3' ' A' ' 62' ' ' LYS . 43.4 mt -66.97 -73.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -40.13 -56.14 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.869 ' CD ' HD22 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -45.6 -60.29 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.668 HD11 ' SD ' ' A' ' 69' ' ' MET . 0.2 OUTLIER -51.59 -43.51 62.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 10' ' ' SER . . . -58.71 -42.02 87.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -62.74 -27.65 69.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.503 HD12 ' CD2' ' A' ' 70' ' ' LEU . 97.3 mt -79.28 -35.63 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.612 ' NE2' HG13 ' A' ' 46' ' ' VAL . 14.9 mm100 -69.5 -29.45 67.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.449 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 12.0 pt20 -89.02 -43.03 11.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.449 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -63.33 -32.33 73.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.47 ' HD2' HG22 ' A' ' 15' ' ' ILE . 3.9 mtt-85 -77.37 -18.87 56.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.4 mttt 68.81 27.36 5.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 51.6 mm-40 -94.35 -75.6 0.51 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.257 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 167.98 135.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.439 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 2.6 mt-10 -39.39 159.47 0.11 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.486 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.1 Cg_endo -75.03 145.25 31.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.812 . . . . 0.0 111.024 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.14 105.04 15.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.598 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 84.1 m-85 -88.01 138.93 31.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mp -135.45 132.46 51.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.669 HD12 ' SD ' ' A' ' 42' ' ' MET . 13.7 tp -79.95 119.56 22.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.609 HD12 HG12 ' A' ' 41' ' ' VAL . 15.0 mt -76.33 -58.1 3.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 m -171.43 -173.63 1.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.995 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.68 105.68 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -157.03 -174.86 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.11 -150.45 18.61 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.55 159.37 0.18 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 111.013 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -54.4 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.563 1.822 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.419 ' CG ' ' N ' ' A' ' 37' ' ' ARG . 35.5 ptt-85 -88.56 -42.26 12.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.419 ' N ' ' CG ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -68.33 -51.31 45.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 37' ' ' ARG . 15.0 mmt85 58.03 156.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' ARG . 0.5 OUTLIER -137.68 118.51 14.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.331 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.567 ' CD1' ' HG3' ' A' ' 58' ' ' LYS . 53.8 m-85 -101.42 125.43 48.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.092 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.609 HG12 HD12 ' A' ' 29' ' ' LEU . 14.4 t -90.77 128.84 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.669 ' SD ' HD12 ' A' ' 28' ' ' LEU . 2.5 tpt -125.21 147.61 48.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.445 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 10.1 tt0 -125.45 154.94 41.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.817 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 7.9 p -140.84 131.2 27.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.795 ' HG3' HG23 ' A' ' 50' ' ' VAL . 6.2 tttt -121.41 126.54 49.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.612 HG13 ' NE2' ' A' ' 16' ' ' GLN . 22.5 t -135.22 109.55 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.76 -96.26 0.18 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -123.8 0.51 8.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 0.738 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -100.88 156.75 17.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 110.246 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.795 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -144.47 153.96 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.817 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -150.21 171.14 17.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 p -140.46 160.13 40.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.432 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -148.65 146.96 17.03 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.6 p -136.92 148.2 46.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 110.389 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -168.13 -168.24 29.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.633 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.4 Cg_endo -75.02 -20.13 17.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.41 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -147.71 159.68 43.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.567 ' HG3' ' CD1' ' A' ' 40' ' ' PHE . 0.7 OUTLIER -50.09 -51.59 41.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -40.34 -70.46 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.633 HD12 ' HG2' ' A' ' 56' ' ' PRO . 93.8 mt -52.91 -41.61 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -51.82 -58.39 6.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.651 ' HE3' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -53.64 -50.7 65.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HG3' HD11 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -48.51 -43.48 35.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -67.49 -33.54 75.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -60.54 -55.45 33.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.658 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -54.3 -41.43 68.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.624 ' HG2' HD12 ' A' ' 71' ' ' LEU . 12.1 tt0 -55.26 -62.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.424 ' HB3' ' HB1' ' A' ' 51' ' ' ALA . . . -44.45 -47.17 9.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.668 ' SD ' HD11 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -56.12 -53.47 56.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 0.0 110.993 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.869 HD22 ' CD ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -64.87 -33.44 76.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.636 HD21 ' HB2' ' A' ' 80' ' ' SER . 0.3 OUTLIER -66.83 -38.66 86.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.41 -38.82 62.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 69.9 mt -64.45 -32.04 73.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 103.18 33.42 4.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.419 ' HB3' ' NH2' ' A' ' 11' ' ' ARG . 5.7 m-85 -105.92 -11.73 16.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 80' ' ' SER . 0.1 OUTLIER -141.16 21.96 2.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.43 -59.76 2.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.4 m -45.3 -57.39 4.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.5 m -59.86 -56.87 16.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.392 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.636 ' HB2' HD21 ' A' ' 71' ' ' LEU . 8.6 t -40.79 -65.31 0.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 0.0 109.957 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 mt -43.01 -67.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -38.91 -61.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -43.48 -58.96 2.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.97 -48.75 67.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -178.65 -179.3 48.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 166.58 28.88 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.9 p -174.9 133.47 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 110.027 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.1 m 59.79 167.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.97 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.6 m -113.73 129.76 56.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 110.02 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -86.45 88.12 7.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.88 107.85 2.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.452 1.095 . . . . 0.0 111.054 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -94.76 117.63 30.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 109.95 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.97 126.91 13.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.12 -178.13 45.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.512 ' O ' ' HB1' ' A' ' 66' ' ' ALA . 18.3 Cg_endo -75.04 -25.71 11.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.451 1.764 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.681 HD11 ' HA ' ' A' ' 63' ' ' LYS . 14.4 mm -73.69 -67.66 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.31 -55.03 5.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.959 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.2 ttt85 -45.33 -40.81 8.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 66' ' ' ALA . 0.2 OUTLIER -73.49 -48.06 36.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.57 -42.71 75.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -62.29 -26.24 68.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.513 HG12 ' CE2' ' A' ' 75' ' ' TYR . 63.5 mt -82.84 -33.52 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.626 HE22 HG13 ' A' ' 46' ' ' VAL . 14.0 mm100 -69.69 -24.93 63.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.46 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -91.04 -43.56 9.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.46 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -64.28 -32.24 73.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.459 ' HD2' HG22 ' A' ' 15' ' ' ILE . 3.5 mtt-85 -78.94 -18.12 54.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 mttt 64.13 29.71 13.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 6.1 mm-40 -94.5 -71.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 165.24 137.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 22' ' ' LYS . 51.7 mt-10 -39.27 159.35 0.11 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.477 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.5 Cg_endo -74.96 144.23 30.13 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.55 102.15 13.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 109.27 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.651 ' CD1' ' CG ' ' A' ' 62' ' ' LYS . 60.1 m-85 -90.88 118.72 30.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.569 HG22 ' H ' ' A' ' 28' ' ' LEU . 2.4 mp -119.44 172.37 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.569 ' H ' HG22 ' A' ' 27' ' ' ILE . 13.6 tp -112.81 117.38 32.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.463 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 10.3 mt -73.99 -56.59 4.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -171.76 -177.91 2.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -142.69 112.15 6.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.33 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -151.14 -170.35 3.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 110.293 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.98 170.05 24.22 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.544 1.153 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.4 mtm -41.03 163.04 0.1 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -38.14 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.478 1.778 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.7 -50.46 7.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.66 -51.54 64.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 61.82 143.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 32' ' ' ARG . 4.6 tt0 -141.34 118.07 11.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 57' ' ' ASN . 32.3 m-85 -113.5 122.43 47.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.651 ' HA ' HG22 ' A' ' 54' ' ' THR . 7.2 t -90.39 131.67 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.446 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 4.8 tpt -129.63 138.55 51.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.432 ' HG3' ' CG2' ' A' ' 52' ' ' THR . 9.5 tt0 -110.47 155.12 22.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.248 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 1.017 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 13.5 p -137.54 125.71 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.361 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.83 ' HG3' HG23 ' A' ' 50' ' ' VAL . 10.5 ttmt -116.89 116.02 26.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.626 HG13 HE22 ' A' ' 16' ' ' GLN . 2.1 t -128.06 110.04 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.58 -113.55 4.7 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -107.92 24.54 12.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -127.83 153.77 46.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.83 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -140.96 153.76 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 1.017 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -150.57 173.05 14.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.432 ' CG2' ' HG3' ' A' ' 43' ' ' GLN . 1.4 p -147.57 155.89 42.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.41 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.422 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -152.92 148.67 19.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.651 HG22 ' HA ' ' A' ' 41' ' ' VAL . 72.4 p -137.24 149.02 46.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.371 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -158.96 -161.41 11.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.562 1.163 . . . . 0.0 111.049 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.665 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -75.04 -16.03 20.34 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.478 ' ND2' ' N ' ' A' ' 57' ' ' ASN . 0.3 OUTLIER -156.33 157.87 36.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 10.1 ttmt -49.84 -50.07 46.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.85 -63.92 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.665 HD12 ' HG2' ' A' ' 56' ' ' PRO . 17.9 mt -60.47 -37.28 74.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -51.35 -56.28 13.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.651 ' CG ' ' CD1' ' A' ' 26' ' ' TYR . 4.3 ttmm -52.52 -41.25 63.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.681 ' HA ' HD11 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -61.72 -42.71 99.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -68.5 -24.64 64.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.422 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -74.75 -52.42 11.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.563 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -59.44 -34.33 72.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.721 ' HA ' HD12 ' A' ' 70' ' ' LEU . 24.7 tt0 -62.1 -62.79 1.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.237 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.87 -41.99 16.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.557 ' HG2' HD11 ' A' ' 12' ' ' LEU . 26.1 tpp -56.9 -48.75 77.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 67' ' ' GLU . 2.9 mt -59.65 -44.11 93.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 71' ' ' LEU . 0.2 OUTLIER -57.15 -40.47 77.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -37.45 68.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.77 -40.36 95.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.98 36.06 2.43 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.456 1.098 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.513 ' CE2' HG12 ' A' ' 15' ' ' ILE . 19.4 m-85 -106.18 -16.9 14.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -141.21 19.16 2.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.653 ' O ' HD12 ' A' ' 81' ' ' LEU . . . -78.38 -58.32 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.5 t -46.5 -56.24 6.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -56.95 -52.31 65.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.447 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.9 t -45.01 -60.75 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -41.75 -65.2 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -42.45 -63.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.77 -55.84 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.7 t -53.05 -49.52 66.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -164.23 97.62 0.15 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.477 1.11 . . . . 0.0 111.03 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.49 38.66 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.6 m 51.54 79.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.1 t -107.84 -58.15 2.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.978 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.63 -58.65 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.8 m -109.15 80.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.53 150.91 40.72 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.143 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.85 162.88 2.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 0.744 . . . . 0.0 109.956 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.73 169.58 11.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.12 165.82 15.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.549 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.2 Cg_endo -75.05 -28.33 9.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.538 HD11 ' HA ' ' A' ' 63' ' ' LYS . 20.2 mm -65.12 -69.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.34 -54.82 15.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.011 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.2 ttt85 -44.07 -52.99 6.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 66' ' ' ALA . 0.1 OUTLIER -62.7 -43.0 99.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.37 -39.98 89.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -64.16 -28.87 70.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.252 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.578 HG22 ' HD2' ' A' ' 19' ' ' ARG . 50.2 mt -78.39 -36.35 20.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.872 ' NE2' HG13 ' A' ' 46' ' ' VAL . 3.8 mm-40 -66.36 -35.44 80.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.484 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 5.3 pt20 -79.43 -45.38 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.484 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -64.1 -30.41 71.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.578 ' HD2' HG22 ' A' ' 15' ' ' ILE . 31.3 mtt-85 -77.15 -18.45 57.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.25 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.7 mttt 66.19 30.13 9.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 22' ' ' LYS . 8.0 mm-40 -96.21 -73.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 163.58 138.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 22' ' ' LYS . 5.5 mt-10 -37.89 155.72 0.1 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.463 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.3 Cg_endo -75.01 143.91 29.58 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.99 105.75 17.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.578 ' CD1' ' HG3' ' A' ' 62' ' ' LYS . 85.5 m-85 -89.91 129.0 36.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 28' ' ' LEU . 2.5 mp -123.62 164.88 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.522 ' C ' HD13 ' A' ' 28' ' ' LEU . 2.5 tm? -108.5 110.79 22.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.566 HD12 ' CG1' ' A' ' 41' ' ' VAL . 9.5 mt -70.2 -59.75 2.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 t -170.41 -166.6 0.54 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 110.028 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.468 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 0.7 OUTLIER -156.83 122.96 4.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.68 168.01 16.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.52 168.73 11.79 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.6 mtp -50.58 164.41 0.41 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.758 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -41.62 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -56.8 -54.32 47.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.238 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.21 80.34 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -57.99 -179.56 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.09 139.49 28.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 54' ' ' THR . 57.7 m-85 -127.2 129.79 48.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.566 ' CG1' HD12 ' A' ' 29' ' ' LEU . 20.0 t -91.23 126.75 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.0 tpt -127.53 129.88 48.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -102.51 155.14 18.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.518 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 9.1 p -141.46 127.59 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.796 ' HG3' HG23 ' A' ' 50' ' ' VAL . 2.0 ttmt -111.3 125.03 53.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.872 HG13 ' NE2' ' A' ' 16' ' ' GLN . 4.3 t -128.61 110.24 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.97 -101.85 0.3 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.474 1.108 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -120.18 24.65 10.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -127.93 162.0 27.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.265 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.796 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -145.2 150.42 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.518 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -146.47 166.58 25.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 p -133.97 152.4 51.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.408 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -149.53 151.09 23.25 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.513 HG22 ' HA ' ' A' ' 41' ' ' VAL . 22.3 p -134.32 159.49 40.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 110.369 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -167.94 -172.71 35.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.674 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.2 Cg_endo -75.07 -9.51 20.7 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.541 1.811 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -159.81 152.38 21.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.322 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.676 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 10.6 mtpt -44.12 -51.49 7.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.41 -69.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.674 HD12 ' HG2' ' A' ' 56' ' ' PRO . 73.9 mt -54.48 -38.02 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -50.41 -56.88 9.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.578 ' HG3' ' CD1' ' A' ' 26' ' ' TYR . 5.0 ttmm -55.79 -34.56 65.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.538 ' HA ' HD11 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -64.25 -38.02 89.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -74.86 -26.34 59.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.408 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -64.9 -55.5 18.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.713 ' HA ' HD12 ' A' ' 12' ' ' LEU . . . -56.5 -46.56 80.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.702 ' HA ' HD12 ' A' ' 70' ' ' LEU . 22.7 tt0 -46.51 -64.42 0.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.67 -61.06 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.586 ' HG2' HD11 ' A' ' 12' ' ' LEU . 29.7 tpp -39.52 -53.15 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' A' ' 67' ' ' GLU . 3.2 mt -55.97 -48.86 75.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -59.52 -42.65 92.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.416 ' OE1' ' SD ' ' A' ' 69' ' ' MET . 0.7 OUTLIER -67.41 -30.78 70.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 69' ' ' MET . 62.1 mt -74.62 -34.05 62.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.41 40.17 2.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -106.01 -13.26 15.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.579 ' O ' HD13 ' A' ' 71' ' ' LEU . 13.8 mttt -149.64 44.82 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.59 -41.12 9.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.5 t -69.35 -66.93 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 109.945 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.3 t -49.32 -31.94 10.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.382 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 84' ' ' SER . 4.2 t -68.92 -63.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.45 -32.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.416 ' N ' ' C ' ' A' ' 80' ' ' SER . 1.8 tt0 -52.38 -64.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -94.56 -54.49 3.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 80' ' ' SER . 0.1 OUTLIER -53.71 -48.2 69.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.0 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.15 175.09 14.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 175.85 10.7 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.519 1.8 . . . . 0.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.0 t -67.07 -59.6 3.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 61.48 96.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.971 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.147 . . . . 0.0 110.979 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 t -93.44 -58.04 2.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -178.26 147.16 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.11 156.98 12.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.549 1.155 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -125.7 -53.79 1.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 0.761 . . . . 0.0 109.98 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -98.15 102.59 14.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.966 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.14 162.8 29.93 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.631 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.2 Cg_endo -75.05 -28.85 8.73 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.467 1.772 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.599 HD11 ' HA ' ' A' ' 63' ' ' LYS . 18.7 mm -62.73 -66.24 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.65 -55.95 21.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -41.9 -37.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.682 HD11 ' HG2' ' A' ' 69' ' ' MET . 0.0 OUTLIER -76.08 -49.39 17.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.43 -41.83 85.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -60.05 -30.34 69.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.294 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.46 ' CD1' HD23 ' A' ' 70' ' ' LEU . 59.4 mt -77.67 -38.33 25.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.482 ' CB ' ' HA ' ' A' ' 23' ' ' GLU . 19.2 mm100 -65.96 -38.99 90.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.427 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 11.8 pt20 -77.44 -41.81 38.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.427 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -66.42 -26.28 67.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -81.2 -20.65 40.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt 67.25 29.93 7.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 31.7 mm-40 -100.27 -77.25 0.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.357 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 1.5 tppt? 179.59 132.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.482 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 0.9 OUTLIER -46.08 162.48 0.24 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.492 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.2 Cg_endo -74.95 146.09 32.46 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.01 105.31 14.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.569 ' CD1' ' HG2' ' A' ' 62' ' ' LYS . 61.5 m-85 -87.42 135.11 33.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.15 . . . . 0.0 111.022 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -133.87 130.19 55.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.654 HD13 ' HG3' ' A' ' 58' ' ' LYS . 13.1 tp -78.54 117.43 19.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.7 HD12 HG12 ' A' ' 41' ' ' VAL . 14.3 mt -73.89 -62.49 1.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -166.42 -175.36 3.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.472 ' HG2' ' CD2' ' A' ' 40' ' ' PHE . 68.5 mt-10 -146.65 100.12 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -147.57 160.69 42.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 144.1 -162.91 27.82 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.4 mtm -57.78 159.8 9.26 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -40.83 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -81.26 -25.68 36.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -144.83 78.11 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.47 173.8 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.472 ' CB ' ' O ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -125.94 112.01 15.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.472 ' CD2' ' HG2' ' A' ' 31' ' ' GLU . 24.2 m-85 -96.89 120.5 37.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.7 HG12 HD12 ' A' ' 29' ' ' LEU . 21.8 t -89.4 125.66 42.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.432 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -122.94 148.71 45.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 111.038 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.443 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 9.6 tt0 -124.49 152.71 43.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.924 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 12.7 p -139.2 127.27 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.701 ' HG3' HG23 ' A' ' 50' ' ' VAL . 10.4 ttmt -116.9 119.84 36.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.492 ' CG2' ' HB3' ' A' ' 24' ' ' PRO . 2.1 t -127.96 109.63 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.18 -103.12 0.3 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -118.2 28.05 8.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -128.62 153.8 46.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.268 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.701 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -140.29 146.48 24.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.924 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -145.24 169.42 18.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 42' ' ' MET . 2.0 p -135.79 155.88 49.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.376 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.438 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -142.58 146.41 17.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.517 1.135 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.7 p -132.1 160.0 37.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 176.58 -172.2 45.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.127 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.585 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -75.01 -29.08 8.58 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.52 1.8 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -137.61 147.53 45.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.654 ' HG3' HD13 ' A' ' 28' ' ' LEU . 5.6 ttmt -40.04 -48.62 2.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -41.28 -76.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.585 HD12 ' HG2' ' A' ' 56' ' ' PRO . 69.2 mt -46.86 -52.42 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.98 -37.29 8.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.569 ' HG2' ' CD1' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -70.13 -39.74 75.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.599 ' HA ' HD11 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -65.86 -39.69 90.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.444 ' ND2' HG22 ' A' ' 60' ' ' ILE . 20.6 m-80 -67.52 -26.95 66.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.438 ' N ' ' HA3' ' A' ' 53' ' ' GLY . . . -65.43 -56.28 13.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.635 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -56.78 -46.69 81.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.528 ' O ' HD23 ' A' ' 71' ' ' LEU . 15.7 tt0 -42.25 -64.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.8 -54.92 23.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.682 ' HG2' HD11 ' A' ' 12' ' ' LEU . 24.2 tpp -44.21 -37.64 3.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 66' ' ' ALA . 1.3 mt -76.76 -52.94 8.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.576 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -51.46 -46.05 62.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.423 ' HG2' ' N ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -67.12 -47.38 71.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.561 HD23 ' HE2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -47.72 -56.53 7.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.43 39.11 0.45 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.128 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.561 ' HE2' HD23 ' A' ' 73' ' ' LEU . 79.4 m-85 -106.45 -23.37 12.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.753 . . . . 0.0 111.044 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.24 29.11 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 71' ' ' LEU . . . -82.53 -59.12 2.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 m -44.26 -55.67 4.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.7 m -56.18 -52.32 64.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 110.408 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.1 t -46.14 -62.46 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.949 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 82' ' ' GLN . 5.8 mp -52.15 -62.89 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' LEU . 47.2 mt-30 -38.9 -61.4 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.53 -55.14 2.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.52 -49.97 75.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.955 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -148.35 97.44 0.18 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.426 1.079 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 159.63 40.9 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.45 1.763 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.75 -59.81 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.32 -62.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.115 . . . . 0.0 111.033 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 m -161.08 140.05 10.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.014 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.63 158.94 44.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.951 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.66 102.6 0.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -89.56 73.56 7.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 0.799 . . . . 0.0 109.965 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.7 p -168.64 127.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.152 . . . . 0.0 109.969 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.46 174.98 13.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.115 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.698 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 18.4 Cg_endo -74.99 -33.16 4.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.594 HD13 ' HB2' ' A' ' 66' ' ' ALA . 40.4 mm -62.41 -70.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.93 -50.76 18.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.629 ' NE ' HD22 ' A' ' 70' ' ' LEU . 4.8 ttt180 -49.3 -50.85 37.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.717 HD12 ' HA ' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -60.75 -45.01 95.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.1 -41.89 79.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -64.11 -27.52 69.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.337 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.5 HD12 ' CD2' ' A' ' 70' ' ' LEU . 94.8 mt -79.27 -33.87 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.254 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.586 ' NE2' HG13 ' A' ' 46' ' ' VAL . 15.9 mm100 -72.66 -31.11 64.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.446 ' CG ' ' N ' ' A' ' 18' ' ' ALA . 1.9 pt20 -85.59 -42.88 13.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 17' ' ' GLN . . . -64.05 -33.27 75.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -75.5 -18.85 59.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.2 mttt 67.82 27.77 7.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 22' ' ' LYS . 25.9 mm-40 -94.88 -75.58 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER 170.14 133.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.417 ' HA ' ' CB ' ' A' ' 16' ' ' GLN . 1.7 mp0 -39.22 158.83 0.11 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.472 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 18.4 Cg_endo -75.0 145.42 31.41 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.491 1.785 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.4 103.77 15.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.488 ' CZ ' HD12 ' A' ' 9' ' ' ILE . 45.5 m-85 -89.46 135.43 33.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 28' ' ' LEU . 2.6 mp -133.76 167.58 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.604 HD23 ' HG3' ' A' ' 58' ' ' LYS . 2.6 tm? -109.1 111.91 23.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.647 HD12 HG12 ' A' ' 41' ' ' VAL . 10.2 mt -68.25 -63.22 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.16 -169.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.962 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.569 ' HG3' ' CE2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -145.25 117.25 8.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.278 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -170.84 145.06 2.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.49 53.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.5 mtt 63.55 156.08 0.12 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.754 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -27.98 9.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.82 -44.17 77.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -152.46 74.73 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.345 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -48.71 119.58 3.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 55' ' ' GLY . 28.5 tt0 -93.59 121.4 34.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.569 ' CE2' ' HG3' ' A' ' 31' ' ' GLU . 5.9 m-85 -90.91 158.63 16.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.647 HG12 HD12 ' A' ' 29' ' ' LEU . 23.0 t -124.83 120.94 60.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.409 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -115.68 147.14 41.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 111.054 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.47 ' CD ' HD21 ' A' ' 29' ' ' LEU . 10.7 tt0 -122.22 154.9 36.9 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.783 ' CG1' ' HB3' ' A' ' 51' ' ' ALA . 10.9 p -140.38 130.44 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.755 ' HG3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -119.17 121.72 40.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.586 HG13 ' NE2' ' A' ' 16' ' ' GLN . 7.1 t -130.37 109.86 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.98 -106.41 0.89 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -114.95 25.02 11.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -126.7 155.68 42.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.755 HG23 ' HG3' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -144.25 149.43 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.783 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . . . -146.41 168.98 19.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.491 ' CG2' HD11 ' A' ' 29' ' ' LEU . 1.3 p -141.47 159.16 42.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.426 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.418 ' HA3' ' N ' ' A' ' 65' ' ' ALA . . . -147.89 156.48 26.95 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.5 p -135.82 159.73 40.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 0.789 . . . . 0.0 110.404 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 39' ' ' GLU . . . -177.05 -172.47 41.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.465 ' HG2' HD12 ' A' ' 60' ' ' ILE . 18.3 Cg_endo -75.03 -21.86 15.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.517 1.798 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -142.85 161.89 36.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.604 ' HG3' HD23 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -52.18 -49.19 64.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -41.0 -76.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.465 HD12 ' HG2' ' A' ' 56' ' ' PRO . 54.2 mt -45.93 -50.49 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 58' ' ' LYS . . . -47.18 -32.97 4.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.504 ' HD2' ' CD1' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -72.25 -48.77 40.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -41.23 79.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -61.64 -35.22 77.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 62' ' ' LYS . . . -60.63 -49.76 76.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.818 ' O ' HD12 ' A' ' 70' ' ' LEU . . . -58.1 -44.26 87.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.545 ' O ' HD23 ' A' ' 71' ' ' LEU . 8.3 tt0 -49.36 -66.52 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -43.65 -61.43 1.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.698 ' SD ' HD11 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -39.03 -52.13 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 110.996 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.818 HD12 ' O ' ' A' ' 66' ' ' ALA . 1.1 mt -64.29 -52.86 56.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -48.8 -45.67 40.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.453 ' CG ' ' N ' ' A' ' 73' ' ' LEU . 0.1 OUTLIER -68.91 -47.7 65.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.577 ' HB3' ' CD2' ' A' ' 75' ' ' TYR . 0.1 OUTLIER -45.45 -56.77 4.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 125.14 37.14 0.54 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.57 1.169 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.577 ' CD2' ' HB3' ' A' ' 73' ' ' LEU . 81.9 m-85 -106.92 -22.27 12.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 111.052 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -145.12 26.09 1.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 71' ' ' LEU . . . -81.79 -49.61 10.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.5 m -60.08 -55.69 30.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.001 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.6 m -52.13 -45.44 64.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.383 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.9 t -42.14 -65.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.03 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 82' ' ' GLN . 0.2 OUTLIER -49.44 -61.52 2.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 81' ' ' LEU . 21.5 mt-30 -38.95 -62.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -40.5 -55.77 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 t -53.5 -50.0 66.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.014 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -97.78 -147.16 21.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 179.77 5.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.483 1.78 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.1 t -133.25 -57.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.013 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 m -64.22 -60.25 3.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.015 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.986 . . . . . . . . 0 0 . 1 stop_ save_